CARM1_SCHMA Loading...

Probable histone-arginine methyltransferase CARM1

Methylates (mono- and asymmetric dimethylation) the guanidino nitrogens of arginyl residues in proteins (By similarity). May methylate histone H3 and activate transcription via chromatin remodeling (By similarity). Involved in the development of the reproductive organs during worm maturation (Probable).

AlphaFold DB , UniProt , Accession A0A3Q0KHE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene CARM1, Length 737 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43	Very low	83.2	Confident	246 Å²	246	74.4 Å²	74.4	100%	1.212	38%	0.375	S	S	*	.				0	153.1	0	-61.3	170.4	-171.7	0	0	107.5
2	S	62.1	Low	83.8	Confident	59 Å²	59	69.5 Å²	69.5	41%	0.413	35%	0.35	S	S	.	.			trans	-67.2	152.2	167.9	44.1	0	0	0	0	110.4	L31	S2-L31 WeakPolarHBondContact CB-O 3.24Å; S2-L31 PolarHBondContact OG-O 3.29Å
3	A	75.3	Confident	84	Confident	45 Å²	45	68.5 Å²	68.5	37%	0.372	34%	0.343	S	S	.	.			trans	-65.5	140.3	170.5	0	0	0	0	0	110.5	Y5	A3-Y5 HydrophobicContact CB-CE2 3.84Å; A3-Y5 WeakPolarHBondContact CB-OH 3.34Å
4	E	86.7	Confident	83.3	Confident	84 Å²	84	66.9 Å²	66.9	39%	0.393	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126	175.6	-59.6	-149.8	126.9	0	0	110.3	H6 T28 V29 R40	E4-H6 PolarHBondContact O-ND1 3.01Å; E4-T28 HydrophobicContact CB-CG2 4.04Å; E4-V29 WeakPolarHBondContact CA-O 3.2Å; E4-R40 IonicContact OE1-CZ 3.74Å; E4-R40 IonicContact OE1-NE 3.13Å; E4-R40 IonicContact OE1-NH2 3.58Å; E4-R40 PolarHBondContact OE1-NH2 3.17Å; E4-R40 IonicContact OE2-NH2 3.37Å; E4-R40 PolarHBondContact OE2-NH2 2.93Å
5	Y	90.6	Very high	82.3	Confident	23 Å²	23	64.3 Å²	64.3	9%	0.09	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.2	-176.2	-57.7	-84.6	0	0	0	109.1	A3 T28 V29 F85 D90 G93 F94 S97	A3-Y5 HydrophobicContact CB-CE2 3.84Å; A3-Y5 WeakPolarHBondContact CB-OH 3.34Å; Y5-T28 CarbonylContact O-C 3.52Å; Y5-T28 VanDerWaalsContact O-CA 3.28Å; Y5-T28 WeakPolarHBondContact O-CA 3.31Å; Y5-V29 PolarHBondContact N-O 2.88Å; Y5-V29 PolarHBondContact O-N 3.02Å; Y5-F85 HydrophobicContact CD1-CE1 4.35Å; Y5-F85 HydrophobicContact CD2-CE1 4.38Å; Y5-F85 HydrophobicContact CG-CD1 4.37Å; Y5-F85 AromaticContact CG-CE1 3.88Å; Y5-F85 HydrophobicContact CG-CE1 3.88Å; Y5-D90 HydrophobicContact CD1-CB 3.96Å; Y5-D90 HydrophobicContact CE1-CB 4.45Å; Y5-G93 PolarHBondContact OH-O 3.29Å; Y5-F94 HydrophobicContact CD2-CB 4.33Å; Y5-F94 AromaticContact CD2-CD2 3.76Å; Y5-F94 HydrophobicContact CD2-CD2 3.76Å; Y5-F94 HydrophobicContact CE1-CB 4.49Å; Y5-F94 HydrophobicContact CE2-CB 4Å; Y5-F94 AromaticContact CE2-CD2 3.81Å; Y5-F94 HydrophobicContact CE2-CD2 3.81Å; Y5-F94 HydrophobicContact CE2-CG 4.41Å; Y5-F94 PolarHBondContact OH-N 3.33Å; Y5-S97 PolarHBondContact OH-OG 2.79Å
6	H	91	Very high	81.2	Confident	124 Å²	124	65.2 Å²	65.2	57%	0.574	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	164.1	-171.5	-66.8	75.2	0	0	0	111.3	E4 V8 L27 T28	E4-H6 PolarHBondContact O-ND1 3.01Å; H6-V8 PolarHBondContact O-N 2.84Å; H6-L27 CarbonylContact C-O 3.57Å; H6-T28 PolarHBondContact CD2-OG1 2.73Å; H6-T28 VanDerWaalsContact CD2-OG1 3.28Å
7	N	90.4	Very high	80.5	Confident	87 Å²	87	69.4 Å²	69.4	47%	0.465	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.1	33.6	-178	-163.3	35.9	0	0	0	114.8	L27 D86	N7-L27 PolarHBondContact N-O 3.43Å; N7-D86 WeakPolarHBondContact CB-OD2 3.44Å; N7-D86 PolarHBondContact ND2-OD1 2.85Å; N7-D86 PolarHBondContact ND2-OD2 2.88Å
8	V	93	Very high	79.9	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.9	179.6	-173.6	0	0	0	0	110.1	H6 G26 L27 V29 L83 G84 F85	H6-V8 PolarHBondContact O-N 2.84Å; V8-G26 PolarHBondContact O-N 2.71Å; V8-L27 PolarHBondContact N-O 2.76Å; V8-L27 VanDerWaalsContact O-CB 3.32Å; V8-L27 WeakPolarHBondContact O-CB 3.3Å; V8-L27 PolarHBondContact O-N 3.16Å; V8-V29 HydrophobicContact CB-CG2 3.77Å; V8-V29 HydrophobicContact CG1-CG2 3.77Å; V8-V29 HydrophobicContact CG2-CB 4.22Å; V8-V29 HydrophobicContact CG2-CG2 3.84Å; V8-L83 HydrophobicContact CG1-CB 4.21Å; V8-L83 HydrophobicContact CG1-CD2 4.2Å; V8-G84 CarbonylContact C-O 3.59Å; V8-G84 VanDerWaalsContact CA-O 3.31Å; V8-G84 WeakPolarHBondContact CA-O 3.46Å; V8-G84 WeakPolarHBondContact CG1-O 3.36Å; V8-F85 HydrophobicContact CG2-CD1 3.92Å; V8-F85 HydrophobicContact CG2-CE1 4.02Å
9	E	93.8	Very high	79.8	Confident	44 Å²	44	69.8 Å²	69.8	21%	0.206	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.7	163.8	-174.8	-179.2	-171.8	0	0	110	R11 T22 G24 T25 L83 G84	E9-R11 VanDerWaalsContact CD-NH2 3.32Å; E9-R11 HydrophobicContact CG-CG 4.15Å; E9-R11 IonicContact OE1-CZ 3.38Å; E9-R11 IonicContact OE1-NE 2.76Å; E9-R11 PolarHBondContact OE1-NE 2.91Å; E9-R11 IonicContact OE1-NH2 3.16Å; E9-R11 PolarHBondContact OE1-NH2 3.13Å; E9-R11 VanDerWaalsContact OE1-NH2 3.16Å; E9-R11 IonicContact OE2-CZ 3.33Å; E9-R11 IonicContact OE2-NE 3.22Å; E9-R11 PolarHBondContact OE2-NE 2.87Å; E9-R11 IonicContact OE2-NH2 2.71Å; E9-R11 PolarHBondContact OE2-NH2 3.4Å; E9-T22 HydrophobicContact CG-CG2 3.9Å; E9-T22 WeakPolarHBondContact OE1-CG2 3.32Å; E9-T22 PolarHBondContact OE1-OG1 3.21Å; E9-G24 WeakPolarHBondContact CA-O 3.41Å; E9-T25 HydrophobicContact CB-CG2 4.29Å; E9-T25 HydrophobicContact CG-CG2 3.85Å; E9-L83 WeakPolarHBondContact O-CA 3.23Å; E9-G84 PolarHBondContact N-O 3.08Å; E9-G84 PolarHBondContact O-N 3.05Å
10	L	95.1	Very high	80	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.3	169.3	175.4	62.7	0	0	0	109.8	L23 G24 L27 V39 K47 I49 Y81 L83	L10-L23 HydrophobicContact CD2-CB 3.98Å; L10-L23 HydrophobicContact CD2-CD1 3.81Å; L10-L23 HydrophobicContact CD2-CG 4.47Å; L10-L23 HydrophobicContact CG-CB 4.04Å; L10-L23 HydrophobicContact CG-CD1 4.07Å; L10-L23 HydrophobicContact CG-CG 4.43Å; L10-L23 PolarHBondContact O-N 3.02Å; L10-G24 PolarHBondContact N-O 3.02Å; L10-G24 PolarHBondContact O-N 3.47Å; L10-L27 HydrophobicContact CB-CD1 3.6Å; L10-V39 HydrophobicContact CB-CG1 4.48Å; L10-V39 HydrophobicContact CD2-CB 4.42Å; L10-V39 HydrophobicContact CD2-CG1 4.14Å; L10-V39 HydrophobicContact CD2-CG2 4.33Å; L10-K47 HydrophobicContact CD2-CB 3.79Å; L10-K47 HydrophobicContact CD2-CG 4.19Å; L10-I49 HydrophobicContact CD1-CD1 4.44Å; L10-Y81 HydrophobicContact CD1-CD1 4.08Å; L10-L83 HydrophobicContact CD1-CD2 3.8Å
11	R	93.7	Very high	80.5	Confident	106 Å²	106	73 Å²	73	40%	0.4	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.9	165.1	-47.5	-169.3	179.7	160.7	5.9	111	E9 R21 T22 Y81 L82	E9-R11 VanDerWaalsContact CD-NH2 3.32Å; E9-R11 HydrophobicContact CG-CG 4.15Å; E9-R11 IonicContact OE1-CZ 3.38Å; E9-R11 IonicContact OE1-NE 2.76Å; E9-R11 PolarHBondContact OE1-NE 2.91Å; E9-R11 IonicContact OE1-NH2 3.16Å; E9-R11 PolarHBondContact OE1-NH2 3.13Å; E9-R11 VanDerWaalsContact OE1-NH2 3.16Å; E9-R11 IonicContact OE2-CZ 3.33Å; E9-R11 IonicContact OE2-NE 3.22Å; E9-R11 PolarHBondContact OE2-NE 2.87Å; E9-R11 IonicContact OE2-NH2 2.71Å; E9-R11 PolarHBondContact OE2-NH2 3.4Å; R11-R21 CarbonylContact C-O 3.53Å; R11-R21 VanDerWaalsContact CA-O 3.3Å; R11-R21 WeakPolarHBondContact CA-O 3.46Å; R11-T22 PolarHBondContact NE-OG1 2.86Å; R11-Y81 WeakPolarHBondContact O-CA 3.38Å; R11-L82 HydrophobicContact CB-CB 4.28Å; R11-L82 PolarHBondContact N-O 2.9Å; R11-L82 PolarHBondContact O-N 2.94Å
12	M	91	Very high	82.8	Confident	16 Å²	16	64.6 Å²	64.6	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.8	170.6	-169.6	-156.4	99.2	0	0	108.3	D14 R21 L23 T79 Y81	M12-D14 HydrophobicContact CE-CB 4Å; M12-R21 HydrophobicContact CB-CG 4.21Å; M12-R21 PolarHBondContact N-O 2.93Å; M12-R21 PolarHBondContact O-N 3.42Å; M12-R21 PolarHBondContact SD-NH2 3.46Å; M12-L23 HydrophobicContact CB-CD1 3.92Å; M12-L23 HydrophobicContact CB-CD2 4.37Å; M12-L23 HydrophobicContact CB-CG 4.08Å; M12-T79 HydrophobicContact CG-CG2 4.24Å; M12-T79 HydrophobicContact SD-CG2 4.39Å; M12-Y81 HydrophobicContact CB-CD1 4.28Å; M12-Y81 HydrophobicContact CB-CE1 4.43Å; M12-Y81 HydrophobicContact CG-CD1 4.11Å; M12-Y81 HydrophobicContact CG-CE1 3.96Å
13	F	86.1	Confident	84.1	Confident	57 Å²	57	64.8 Å²	64.8	25%	0.25	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.4	170.5	-172	-118.4	0	0	0	109.2	E15 F18 T19 C20 T80	F13-E15 HydrophobicContact CD1-CG 3.62Å; F13-E15 HydrophobicContact CE1-CB 4.46Å; F13-E15 HydrophobicContact CE1-CG 3.8Å; F13-F18 AromaticContact CZ-CD1 3.93Å; F13-F18 HydrophobicContact CZ-CD1 3.93Å; F13-F18 HydrophobicContact CZ-CE1 4.42Å; F13-F18 HydrophobicContact CZ-CG 4.37Å; F13-T19 VanDerWaalsContact CD2-O 3.29Å; F13-T19 WeakPolarHBondContact CD2-O 3.47Å; F13-C20 HydrophobicContact CD2-CB 4.06Å; F13-T80 PolarHBondContact N-O 3.43Å
14	D	74.8	Confident	84.8	Confident	45 Å²	45	63 Å²	63	24%	0.241	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	101.6	171.5	-168	-51.5	0	0	0	108.2	M12 A16 Q17 F18 T19	M12-D14 HydrophobicContact CE-CB 4Å; D14-A16 PolarHBondContact O-N 3.32Å; D14-A16 PolarHBondContact OD1-N 3.29Å; D14-A16 VanDerWaalsContact OD1-N 3.1Å; D14-Q17 HydrophobicContact CB-CB 4.34Å; D14-Q17 PolarHBondContact O-N 3.41Å; D14-Q17 PolarHBondContact OD1-N 3.32Å; D14-F18 WeakPolarHBondContact O-CA 3.4Å; D14-F18 PolarHBondContact O-N 2.97Å; D14-T19 PolarHBondContact N-O 2.84Å; D14-T19 PolarHBondContact O-N 3.34Å
15	E	68.1	Low	85	Confident	29 Å²	29	63.1 Å²	63.1	14%	0.136	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.9	-176.5	-69.8	163	-155.2	0	0	112.7	F13 F18 F78 T80	F13-E15 HydrophobicContact CD1-CG 3.62Å; F13-E15 HydrophobicContact CE1-CB 4.46Å; F13-E15 HydrophobicContact CE1-CG 3.8Å; E15-F18 WeakPolarHBondContact O-CD2 3.21Å; E15-F18 WeakPolarHBondContact O-CE2 3.44Å; E15-F78 VanDerWaalsContact OE2-CB 3.32Å; E15-F78 WeakPolarHBondContact OE2-CB 3.3Å; E15-F78 PolarHBondContact OE2-N 3.37Å; E15-F78 VanDerWaalsContact OE2-N 3.15Å; E15-T80 WeakPolarHBondContact OE1-CB 3.39Å; E15-T80 PolarHBondContact OE1-OG1 2.95Å
16	A	64.1	Low	85	Confident	78 Å²	78	64 Å²	64	65%	0.645	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.8	178.4	0	0	0	0	0	112.6	D14	D14-A16 PolarHBondContact O-N 3.32Å; D14-A16 PolarHBondContact OD1-N 3.29Å; D14-A16 VanDerWaalsContact OD1-N 3.1Å
17	Q	70	Confident	85.1	Confident	137 Å²	137	58.1 Å²	58.1	64%	0.64	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-6.9	178.6	-59.3	-170.3	-0.7	0	0	114	D14 T19	D14-Q17 HydrophobicContact CB-CB 4.34Å; D14-Q17 PolarHBondContact O-N 3.41Å; D14-Q17 PolarHBondContact OD1-N 3.32Å; Q17-T19 HydrophobicContact CB-CG2 4.05Å; Q17-T19 PolarHBondContact O-N 2.97Å
18	F	69.8	Low	85.2	Confident	82 Å²	82	55 Å²	55	36%	0.36	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	25.7	-169	-81.8	-99.5	0	0	0	114	F13 D14 E15 P229	F13-F18 AromaticContact CZ-CD1 3.93Å; F13-F18 HydrophobicContact CZ-CD1 3.93Å; F13-F18 HydrophobicContact CZ-CE1 4.42Å; F13-F18 HydrophobicContact CZ-CG 4.37Å; D14-F18 WeakPolarHBondContact O-CA 3.4Å; D14-F18 PolarHBondContact O-N 2.97Å; E15-F18 WeakPolarHBondContact O-CD2 3.21Å; E15-F18 WeakPolarHBondContact O-CE2 3.44Å; F18-P229 HydrophobicContact CZ-CG 4.37Å
19	T	76.6	Confident	85.1	Confident	65 Å²	65	55 Å²	55	40%	0.399	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	144.7	178.9	63.3	0	0	0	0	111.7	F13 D14 Q17	F13-T19 VanDerWaalsContact CD2-O 3.29Å; F13-T19 WeakPolarHBondContact CD2-O 3.47Å; D14-T19 PolarHBondContact N-O 2.84Å; D14-T19 PolarHBondContact O-N 3.34Å; Q17-T19 HydrophobicContact CB-CG2 4.05Å; Q17-T19 PolarHBondContact O-N 2.97Å
20	C	84.9	Confident	84.9	Confident	67 Å²	67	53.1 Å²	53.1	45%	0.453	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.9	172.8	-167.8	0	0	0	0	109.1	F13	F13-C20 HydrophobicContact CD2-CB 4.06Å
21	R	89.8	Confident	84.3	Confident	139 Å²	139	54 Å²	54	53%	0.525	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.1	179.2	62.4	-178.5	-178.2	179.5	-2	111.3	R11 M12 L23	R11-R21 CarbonylContact C-O 3.53Å; R11-R21 VanDerWaalsContact CA-O 3.3Å; R11-R21 WeakPolarHBondContact CA-O 3.46Å; M12-R21 HydrophobicContact CB-CG 4.21Å; M12-R21 PolarHBondContact N-O 2.93Å; M12-R21 PolarHBondContact O-N 3.42Å; M12-R21 PolarHBondContact SD-NH2 3.46Å; R21-L23 HydrophobicContact CG-CD2 4.21Å; R21-L23 PolarHBondContact O-N 2.78Å
22	T	92.4	Very high	83.6	Confident	70 Å²	70	55.7 Å²	55.7	43%	0.429	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	123	168.7	-61.4	0	0	0	0	109	E9 R11 T25	E9-T22 HydrophobicContact CG-CG2 3.9Å; E9-T22 WeakPolarHBondContact OE1-CG2 3.32Å; E9-T22 PolarHBondContact OE1-OG1 3.21Å; R11-T22 PolarHBondContact NE-OG1 2.86Å; T22-T25 HydrophobicContact CG2-CG2 4.29Å
23	L	89.9	Confident	82.6	Confident	63 Å²	63	61.5 Å²	61.5	33%	0.33	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-24.3	173.5	-60.2	-176.3	0	0	0	111.5	L10 M12 R21 Y81	L10-L23 HydrophobicContact CD2-CB 3.98Å; L10-L23 HydrophobicContact CD2-CD1 3.81Å; L10-L23 HydrophobicContact CD2-CG 4.47Å; L10-L23 HydrophobicContact CG-CB 4.04Å; L10-L23 HydrophobicContact CG-CD1 4.07Å; L10-L23 HydrophobicContact CG-CG 4.43Å; L10-L23 PolarHBondContact O-N 3.02Å; M12-L23 HydrophobicContact CB-CD1 3.92Å; M12-L23 HydrophobicContact CB-CD2 4.37Å; M12-L23 HydrophobicContact CB-CG 4.08Å; R21-L23 HydrophobicContact CG-CD2 4.21Å; R21-L23 PolarHBondContact O-N 2.78Å; L23-Y81 HydrophobicContact CD1-CD1 4.44Å; L23-Y81 HydrophobicContact CD1-CE1 4.27Å
24	G	88.9	Confident	81.8	Confident	7 Å²	7	62 Å²	62	7%	0.072	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.5	157.7	168.3	0	0	0	0	0	113.6	E9 L10 L27	E9-G24 WeakPolarHBondContact CA-O 3.41Å; L10-G24 PolarHBondContact N-O 3.02Å; L10-G24 PolarHBondContact O-N 3.47Å; G24-L27 WeakPolarHBondContact O-CD1 3.48Å
25	T	91.8	Very high	81.8	Confident	86 Å²	86	66.5 Å²	66.5	53%	0.528	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	167.3	168.2	48.6	0	0	0	0	110	E9 T22 L27 R41	E9-T25 HydrophobicContact CB-CG2 4.29Å; E9-T25 HydrophobicContact CG-CG2 3.85Å; T22-T25 HydrophobicContact CG2-CG2 4.29Å; T25-L27 VanDerWaalsContact C-N 3.32Å; T25-L27 WeakPolarHBondContact O-CD2 3.46Å; T25-L27 PolarHBondContact O-N 3.22Å; T25-R41 PolarHBondContact O-NH2 3.38Å
26	G	88.9	Confident	82.6	Confident	42 Å²	42	66.1 Å²	66.1	43%	0.433	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.9	26.9	177.4	0	0	0	0	0	114	V8	V8-G26 PolarHBondContact O-N 2.71Å
27	L	93.4	Very high	83.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	151.4	-170.5	-51.8	178.3	0	0	0	111.9	H6 N7 V8 L10 G24 T25 V39 R40 R41 V46	H6-L27 CarbonylContact C-O 3.57Å; N7-L27 PolarHBondContact N-O 3.43Å; V8-L27 PolarHBondContact N-O 2.76Å; V8-L27 VanDerWaalsContact O-CB 3.32Å; V8-L27 WeakPolarHBondContact O-CB 3.3Å; V8-L27 PolarHBondContact O-N 3.16Å; L10-L27 HydrophobicContact CB-CD1 3.6Å; G24-L27 WeakPolarHBondContact O-CD1 3.48Å; T25-L27 VanDerWaalsContact C-N 3.32Å; T25-L27 WeakPolarHBondContact O-CD2 3.46Å; T25-L27 PolarHBondContact O-N 3.22Å; L27-V39 HydrophobicContact CB-CG1 3.84Å; L27-V39 HydrophobicContact CD1-CG1 3.52Å; L27-V39 HydrophobicContact CG-CG1 4.24Å; L27-R40 WeakPolarHBondContact CA-O 3.48Å; L27-R41 HydrophobicContact CD2-CB 4.04Å; L27-V46 HydrophobicContact CD2-CG2 4.11Å
28	T	92.6	Very high	84.8	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.141	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128.8	167.1	-59.4	0	0	0	0	109.6	E4 Y5 H6 R40	E4-T28 HydrophobicContact CB-CG2 4.04Å; Y5-T28 CarbonylContact O-C 3.52Å; Y5-T28 VanDerWaalsContact O-CA 3.28Å; Y5-T28 WeakPolarHBondContact O-CA 3.31Å; H6-T28 PolarHBondContact CD2-OG1 2.73Å; H6-T28 VanDerWaalsContact CD2-OG1 3.28Å; T28-R40 PolarHBondContact N-O 2.66Å; T28-R40 PolarHBondContact O-N 2.76Å
29	V	92.2	Very high	85.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.1	179.2	178.9	0	0	0	0	110.3	E4 Y5 V8 I37 S38 V39 L83 F94	E4-V29 WeakPolarHBondContact CA-O 3.2Å; Y5-V29 PolarHBondContact N-O 2.88Å; Y5-V29 PolarHBondContact O-N 3.02Å; V8-V29 HydrophobicContact CB-CG2 3.77Å; V8-V29 HydrophobicContact CG1-CG2 3.77Å; V8-V29 HydrophobicContact CG2-CB 4.22Å; V8-V29 HydrophobicContact CG2-CG2 3.84Å; V29-I37 HydrophobicContact CG1-CG2 3.57Å; V29-S38 WeakPolarHBondContact CA-O 3.18Å; V29-V39 HydrophobicContact CG2-CB 4.46Å; V29-V39 HydrophobicContact CG2-CG1 4.03Å; V29-V39 HydrophobicContact CG2-CG2 4.12Å; V29-L83 HydrophobicContact CG2-CD2 4.24Å; V29-F94 HydrophobicContact CG1-CD2 4.44Å; V29-F94 HydrophobicContact CG1-CE2 3.75Å
30	G	88.1	Confident	86.7	Confident	4 Å²	4	51.3 Å²	51.3	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155	178.3	0	0	0	0	0	112.6	S38	G30-S38 PolarHBondContact N-O 2.9Å; G30-S38 PolarHBondContact O-N 3.02Å
31	L	84.2	Confident	87	Confident	18 Å²	18	52.9 Å²	52.9	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	108.1	-176.9	-69.4	163.4	0	0	0	110.7	S2 I37 F94 L101	S2-L31 WeakPolarHBondContact CB-O 3.24Å; S2-L31 PolarHBondContact OG-O 3.29Å; L31-I37 HydrophobicContact CD2-CG1 3.95Å; L31-F94 HydrophobicContact CD1-CE2 4.42Å; L31-F94 HydrophobicContact CD2-CE2 4.06Å; L31-F94 HydrophobicContact CD2-CZ 4.23Å; L31-F94 HydrophobicContact CG-CE2 4.26Å; L31-L101 HydrophobicContact CD2-CD1 3.59Å; L31-L101 HydrophobicContact CD2-CD2 3.99Å; L31-L101 HydrophobicContact CD2-CG 4.06Å
32	R	77.8	Confident	86.7	Confident	142 Å²	142	53.3 Å²	53.3	54%	0.536	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133	-172.4	-164.4	177.3	-174.1	-165.3	4.1	112	S34 K35 V36 E48	R32-S34 PolarHBondContact O-N 3.45Å; R32-K35 PolarHBondContact O-N 2.99Å; R32-K35 VanDerWaalsContact O-N 3.13Å; R32-V36 HydrophobicContact CB-CB 4.41Å; R32-V36 PolarHBondContact N-O 3.37Å; R32-V36 PolarHBondContact O-N 2.79Å; R32-E48 IonicContact NH1-OE1 2.98Å
33	N	70.6	Confident	86	Confident	137 Å²	137	56.4 Å²	56.4	73%	0.733	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	29.7	173.5	-58.7	0.6	0	0	0	114.8	K35	N33-K35 PolarHBondContact O-N 3.48Å
34	S	69.1	Low	85.8	Confident	69 Å²	69	60.5 Å²	60.5	48%	0.483	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	21.9	-174.8	-60.8	0	0	0	0	115.8	R32 L100 L101	R32-S34 PolarHBondContact O-N 3.45Å; S34-L100 WeakPolarHBondContact CB-O 3.45Å; S34-L101 WeakPolarHBondContact O-CA 3.46Å; S34-L101 WeakPolarHBondContact O-CD2 3.24Å
35	K	75.5	Confident	85.7	Confident	138 Å²	138	64.1 Å²	64.1	60%	0.6	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.8	-7.2	-177.8	-67.6	-171.7	180	179.5	0	115.1	R32 N33 I51	R32-K35 PolarHBondContact O-N 2.99Å; R32-K35 VanDerWaalsContact O-N 3.13Å; N33-K35 PolarHBondContact O-N 3.48Å; K35-I51 PolarHBondContact O-N 2.73Å
36	V	84.1	Confident	85.6	Confident	21 Å²	21	62.5 Å²	62.5	13%	0.127	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127	-177.6	-175.6	0	0	0	0	109.8	R32 E48	R32-V36 HydrophobicContact CB-CB 4.41Å; R32-V36 PolarHBondContact N-O 3.37Å; R32-V36 PolarHBondContact O-N 2.79Å; V36-E48 HydrophobicContact CG1-CB 3.8Å; V36-E48 HydrophobicContact CG1-CG 4.19Å
37	I	89.7	Confident	85.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.9	163.5	-55.7	164.4	0	0	0	106.2	V29 L31 V39 I49 I51 I57 V67 L83 F94 L101	V29-I37 HydrophobicContact CG1-CG2 3.57Å; L31-I37 HydrophobicContact CD2-CG1 3.95Å; I37-V39 HydrophobicContact CG2-CG2 4.39Å; I37-I49 HydrophobicContact CB-CB 4.28Å; I37-I49 PolarHBondContact N-O 2.8Å; I37-I49 PolarHBondContact O-N 3.35Å; I37-I51 HydrophobicContact CD1-CD1 3.95Å; I37-I51 HydrophobicContact CD1-CG1 4.3Å; I37-I51 HydrophobicContact CG1-CD1 4.47Å; I37-I51 HydrophobicContact CG1-CG1 4.35Å; I37-I57 HydrophobicContact CD1-CD1 4.29Å; I37-V67 HydrophobicContact CD1-CB 4.48Å; I37-V67 HydrophobicContact CD1-CG1 3.89Å; I37-V67 HydrophobicContact CD1-CG2 3.79Å; I37-L83 HydrophobicContact CG2-CD1 4.46Å; I37-F94 HydrophobicContact CD1-CZ 4.01Å; I37-F94 HydrophobicContact CG1-CZ 4.28Å; I37-F94 HydrophobicContact CG2-CE2 4.41Å; I37-F94 HydrophobicContact CG2-CZ 4.26Å; I37-L101 HydrophobicContact CD1-CD1 4.32Å; I37-L101 HydrophobicContact CG1-CD1 3.97Å
38	S	90.9	Very high	85.6	Confident	9 Å²	9	66.9 Å²	66.9	6%	0.063	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124	178.9	-166.7	0	0	0	0	108.9	V29 G30	V29-S38 WeakPolarHBondContact CA-O 3.18Å; G30-S38 PolarHBondContact N-O 2.9Å; G30-S38 PolarHBondContact O-N 3.02Å
39	V	92.4	Very high	85.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.2	-179.7	-171.9	0	0	0	0	108.1	L10 L27 V29 I37 V46 K47	L10-V39 HydrophobicContact CB-CG1 4.48Å; L10-V39 HydrophobicContact CD2-CB 4.42Å; L10-V39 HydrophobicContact CD2-CG1 4.14Å; L10-V39 HydrophobicContact CD2-CG2 4.33Å; L27-V39 HydrophobicContact CB-CG1 3.84Å; L27-V39 HydrophobicContact CD1-CG1 3.52Å; L27-V39 HydrophobicContact CG-CG1 4.24Å; V29-V39 HydrophobicContact CG2-CB 4.46Å; V29-V39 HydrophobicContact CG2-CG1 4.03Å; V29-V39 HydrophobicContact CG2-CG2 4.12Å; I37-V39 HydrophobicContact CG2-CG2 4.39Å; V39-V46 PolarHBondContact O-N 3.45Å; V39-K47 HydrophobicContact CB-CB 4.2Å; V39-K47 WeakPolarHBondContact CB-O 3.48Å; V39-K47 HydrophobicContact CG2-CB 4.45Å; V39-K47 PolarHBondContact N-O 3.06Å; V39-K47 PolarHBondContact O-N 3.24Å
40	R	92.9	Very high	85.1	Confident	42 Å²	42	71.8 Å²	71.8	16%	0.158	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.8	-169.2	-57.7	-173.3	-66.2	112	-2.5	112	E4 L27 T28 N43 E44	E4-R40 IonicContact OE1-CZ 3.74Å; E4-R40 IonicContact OE1-NE 3.13Å; E4-R40 IonicContact OE1-NH2 3.58Å; E4-R40 PolarHBondContact OE1-NH2 3.17Å; E4-R40 IonicContact OE2-NH2 3.37Å; E4-R40 PolarHBondContact OE2-NH2 2.93Å; L27-R40 WeakPolarHBondContact CA-O 3.48Å; T28-R40 PolarHBondContact N-O 2.66Å; T28-R40 PolarHBondContact O-N 2.76Å; R40-N43 PolarHBondContact NH1-OD1 2.92Å; R40-E44 CarbonylContact C-O 3.54Å; R40-E44 WeakPolarHBondContact CA-O 3.4Å; R40-E44 WeakPolarHBondContact CB-O 3.22Å
41	R	91.6	Very high	84.8	Confident	101 Å²	101	72.6 Å²	72.6	38%	0.381	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.8	165.7	172.9	-176.3	-64.6	141.2	-0.3	106.8	T25 L27 N43 E44 V46	T25-R41 PolarHBondContact O-NH2 3.38Å; L27-R41 HydrophobicContact CD2-CB 4.04Å; R41-N43 PolarHBondContact O-N 2.92Å; R41-E44 PolarHBondContact N-O 3.34Å; R41-E44 WeakPolarHBondContact O-CA 3.35Å; R41-E44 WeakPolarHBondContact O-CB 3.44Å; R41-E44 PolarHBondContact O-N 3.25Å; R41-V46 HydrophobicContact CB-CG2 3.77Å
42	D	82.8	Confident	84.3	Confident	147 Å²	147	73.9 Å²	73.9	79%	0.786	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	37.7	173.9	-51	-39.4	0	0	0	114.1	E44	D42-E44 VanDerWaalsContact C-N 3.29Å; D42-E44 PolarHBondContact O-N 2.98Å
43	N	79.1	Confident	84	Confident	135 Å²	135	71.8 Å²	71.8	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	-7.6	-171.4	-60.7	-46.3	0	0	0	118.1	R40 R41	R40-N43 PolarHBondContact NH1-OD1 2.92Å; R41-N43 PolarHBondContact O-N 2.92Å
44	E	85.5	Confident	83.9	Confident	150 Å²	150	68.9 Å²	68.9	70%	0.701	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.9	167.5	-59.5	-166.4	148.8	0	0	111.9	R40 R41 D42 V46	R40-E44 CarbonylContact C-O 3.54Å; R40-E44 WeakPolarHBondContact CA-O 3.4Å; R40-E44 WeakPolarHBondContact CB-O 3.22Å; R41-E44 PolarHBondContact N-O 3.34Å; R41-E44 WeakPolarHBondContact O-CA 3.35Å; R41-E44 WeakPolarHBondContact O-CB 3.44Å; R41-E44 PolarHBondContact O-N 3.25Å; D42-E44 VanDerWaalsContact C-N 3.29Å; D42-E44 PolarHBondContact O-N 2.98Å; E44-V46 PolarHBondContact O-N 3.36Å
45	T	87.2	Confident	84.3	Confident	83 Å²	83	66.6 Å²	66.6	51%	0.509	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.2	179	-59.2	0	0	0	0	111	E48	T45-E48 HydrophobicContact CG2-CG 3.64Å
46	V	89	Confident	84.6	Confident	52 Å²	52	64.6 Å²	64.6	32%	0.315	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-38.8	176.6	177.7	0	0	0	0	111.1	L27 V39 R41 E44	L27-V46 HydrophobicContact CD2-CG2 4.11Å; V39-V46 PolarHBondContact O-N 3.45Å; R41-V46 HydrophobicContact CB-CG2 3.77Å; E44-V46 PolarHBondContact O-N 3.36Å
47	K	91.4	Very high	84.8	Confident	71 Å²	71	64.6 Å²	64.6	31%	0.309	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	137.5	177.3	-168.5	65	178.4	-177.1	0	111.9	L10 V39 I49 Y81	L10-K47 HydrophobicContact CD2-CB 3.79Å; L10-K47 HydrophobicContact CD2-CG 4.19Å; V39-K47 HydrophobicContact CB-CB 4.2Å; V39-K47 WeakPolarHBondContact CB-O 3.48Å; V39-K47 HydrophobicContact CG2-CB 4.45Å; V39-K47 PolarHBondContact N-O 3.06Å; V39-K47 PolarHBondContact O-N 3.24Å; K47-I49 HydrophobicContact CG-CG1 4Å; K47-Y81 WeakPolarHBondContact CE-OH 3.39Å; K47-Y81 HydrophobicContact CG-CE1 4.49Å; K47-Y81 PolarHBondContact NZ-OH 3.27Å
48	E	90.2	Very high	84.5	Confident	62 Å²	62	69.1 Å²	69.1	29%	0.29	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.7	158.3	-60.7	-154.7	134.9	0	0	109.6	R32 V36 T45	R32-E48 IonicContact NH1-OE1 2.98Å; V36-E48 HydrophobicContact CG1-CB 3.8Å; V36-E48 HydrophobicContact CG1-CG 4.19Å; T45-E48 HydrophobicContact CG2-CG 3.64Å
49	I	88.8	Confident	84.4	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.015	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.1	176	-51.8	169.3	0	0	0	107.2	L10 I37 K47 I51 V67 T69 Y81	L10-I49 HydrophobicContact CD1-CD1 4.44Å; I37-I49 HydrophobicContact CB-CB 4.28Å; I37-I49 PolarHBondContact N-O 2.8Å; I37-I49 PolarHBondContact O-N 3.35Å; K47-I49 HydrophobicContact CG-CG1 4Å; I49-I51 HydrophobicContact CG2-CD1 4.27Å; I49-V67 HydrophobicContact CG2-CG1 3.88Å; I49-T69 HydrophobicContact CG2-CG2 3.58Å; I49-Y81 HydrophobicContact CD1-CD1 4.06Å; I49-Y81 HydrophobicContact CD1-CD2 3.92Å; I49-Y81 HydrophobicContact CD1-CG 3.66Å; I49-Y81 HydrophobicContact CG1-CD1 4.48Å; I49-Y81 HydrophobicContact CG1-CD2 4.17Å; I49-Y81 HydrophobicContact CG1-CE2 4.28Å; I49-Y81 HydrophobicContact CG1-CG 4.27Å; I49-Y81 HydrophobicContact CG2-CD2 3.93Å; I49-Y81 HydrophobicContact CG2-CE2 4.05Å
50	H	86	Confident	84	Confident	123 Å²	123	79.3 Å²	79.3	57%	0.569	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.1	-179.6	-57.1	-83.1	0	0	0	110.4
51	I	81.2	Confident	83.7	Confident	22 Å²	22	79.5 Å²	79.5	11%	0.113	40%	0.404	C	S	.	.			trans	-98.1	122.9	179.9	-56.8	-51.2	0	0	0	109.1	K35 I37 I49 I57 V67 T69 L101	K35-I51 PolarHBondContact O-N 2.73Å; I37-I51 HydrophobicContact CD1-CD1 3.95Å; I37-I51 HydrophobicContact CD1-CG1 4.3Å; I37-I51 HydrophobicContact CG1-CD1 4.47Å; I37-I51 HydrophobicContact CG1-CG1 4.35Å; I49-I51 HydrophobicContact CG2-CD1 4.27Å; I51-I57 HydrophobicContact CD1-CD1 4.01Å; I51-I57 HydrophobicContact CG1-CD1 4.25Å; I51-V67 HydrophobicContact CD1-CG1 3.75Å; I51-T69 HydrophobicContact CD1-CG2 4.34Å; I51-L101 HydrophobicContact CG1-CD1 3.97Å; I51-L101 HydrophobicContact CG2-CB 4.22Å
52	S	75.5	Confident	83.5	Confident	44 Å²	44	81.8 Å²	81.8	31%	0.308	42%	0.419	S	S	.	.			trans	-110.6	173.5	176.6	73.3	0	0	0	0	110.2	L54 S55	S52-L54 PolarHBondContact O-N 2.97Å; S52-L54 VanDerWaalsContact O-N 3.1Å; S52-L54 PolarHBondContact OG-N 3.39Å; S52-L54 VanDerWaalsContact OG-N 3.1Å; S52-S55 PolarHBondContact N-OG 3.06Å; S52-S55 PolarHBondContact O-N 3.3Å; S52-S55 VanDerWaalsContact O-N 3.08Å; S52-S55 PolarHBondContact OG-N 3.17Å; S52-S55 PolarHBondContact OG-OG 3.42Å
53	S	69.5	Low	83.8	Confident	98 Å²	98	79.7 Å²	79.7	69%	0.685	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.3	168.9	49.2	0	0	0	0	114.4
54	L	70.1	Confident	84.4	Confident	76 Å²	76	74.6 Å²	74.6	40%	0.398	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.4	175	-53.5	176.1	0	0	0	112.9	S52 K70 V73	S52-L54 PolarHBondContact O-N 2.97Å; S52-L54 VanDerWaalsContact O-N 3.1Å; S52-L54 PolarHBondContact OG-N 3.39Å; S52-L54 VanDerWaalsContact OG-N 3.1Å; L54-K70 HydrophobicContact CB-CB 4.16Å; L54-K70 HydrophobicContact CD1-CD 4.4Å; L54-V73 HydrophobicContact CD1-CG2 3.79Å
55	S	77.5	Confident	84.6	Confident	22 Å²	22	67.4 Å²	67.4	15%	0.154	34%	0.343	C	S	.	.			trans	-87.5	141.7	179.9	-58.2	0	0	0	0	110.6	S52 C68	S52-S55 PolarHBondContact N-OG 3.06Å; S52-S55 PolarHBondContact O-N 3.3Å; S52-S55 VanDerWaalsContact O-N 3.08Å; S52-S55 PolarHBondContact OG-N 3.17Å; S52-S55 PolarHBondContact OG-OG 3.42Å; S55-C68 CarbonylContact C-O 3.51Å; S55-C68 WeakPolarHBondContact CA-O 3.49Å; S55-C68 WeakPolarHBondContact CB-O 3.47Å
56	N	81.5	Confident	84.8	Confident	95 Å²	95	63.5 Å²	63.5	51%	0.508	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.2	177.1	-165.7	6.8	0	0	0	110.7	V67 C68	N56-V67 WeakPolarHBondContact O-CA 3.42Å; N56-C68 HydrophobicContact CB-CB 4.49Å; N56-C68 PolarHBondContact N-O 3.04Å; N56-C68 PolarHBondContact O-N 3.27Å
57	I	87.1	Confident	84.9	Confident	22 Å²	22	61 Å²	61	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.1	-178.1	-55.9	178.1	0	0	0	108.3	I37 I51 V65 A66 V67 F94 L95 L101	I37-I57 HydrophobicContact CD1-CD1 4.29Å; I51-I57 HydrophobicContact CD1-CD1 4.01Å; I51-I57 HydrophobicContact CG1-CD1 4.25Å; I57-V65 HydrophobicContact CG2-CG1 3.74Å; I57-A66 WeakPolarHBondContact CA-O 3.48Å; I57-V67 HydrophobicContact CG1-CG1 4.24Å; I57-V67 HydrophobicContact CG1-CG2 4.33Å; I57-V67 HydrophobicContact CG2-CG2 4.29Å; I57-F94 HydrophobicContact CG2-CE1 4.46Å; I57-L95 HydrophobicContact CG2-CD2 4.13Å; I57-L101 HydrophobicContact CD1-CD1 3.67Å
58	Y	85.1	Confident	84.6	Confident	94 Å²	94	58.4 Å²	58.4	37%	0.369	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.6	-174.8	62	-83.5	0	0	0	112.9	F60 V65 A66	Y58-F60 HydrophobicContact CE2-CD2 4.43Å; Y58-F60 PolarHBondContact O-N 2.84Å; Y58-V65 WeakPolarHBondContact O-CA 3.34Å; Y58-V65 WeakPolarHBondContact O-CG1 3.29Å; Y58-A66 HydrophobicContact CD1-CB 4.25Å; Y58-A66 HydrophobicContact CD2-CB 4.33Å; Y58-A66 HydrophobicContact CE1-CB 3.78Å; Y58-A66 HydrophobicContact CE2-CB 3.88Å; Y58-A66 PolarHBondContact N-O 3.45Å; Y58-A66 VanDerWaalsContact N-O 3.08Å; Y58-A66 PolarHBondContact O-N 3.36Å
59	R	87.7	Confident	84.3	Confident	103 Å²	103	56.4 Å²	56.4	39%	0.389	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.4	174.7	-174.9	172.7	-79.9	-128.5	-10	109.6	S61 P88 V91 L95	R59-S61 WeakPolarHBondContact CG-O 3.48Å; R59-P88 PolarHBondContact NH2-O 2.8Å; R59-V91 HydrophobicContact CG-CG1 4.22Å; R59-V91 VanDerWaalsContact NH2-CG1 3.29Å; R59-L95 HydrophobicContact CB-CD1 3.81Å; R59-L95 HydrophobicContact CG-CD1 4.47Å
60	F	85.4	Confident	83.4	Confident	121 Å²	121	58.5 Å²	58.5	53%	0.531	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-32	176.3	-175.8	-97.5	0	0	0	112.3	Y58 T64 A66 L82	Y58-F60 HydrophobicContact CE2-CD2 4.43Å; Y58-F60 PolarHBondContact O-N 2.84Å; F60-T64 HydrophobicContact CB-CG2 4.2Å; F60-T64 HydrophobicContact CD1-CG2 4.02Å; F60-T64 PolarHBondContact N-O 2.94Å; F60-A66 HydrophobicContact CB-CB 4Å; F60-A66 HydrophobicContact CD2-CB 4.39Å; F60-L82 HydrophobicContact CD1-CD2 4.35Å; F60-L82 HydrophobicContact CD2-CD2 4.38Å; F60-L82 HydrophobicContact CG-CD2 4.19Å
61	S	86.5	Confident	82.2	Confident	46 Å²	46	61.3 Å²	61.3	32%	0.322	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-179.8	173.4	90.9	0	0	0	0	110.8	R59 K63 T64	R59-S61 WeakPolarHBondContact CG-O 3.48Å; S61-K63 PolarHBondContact O-N 3.28Å; S61-K63 PolarHBondContact OG-N 3.1Å; S61-T64 PolarHBondContact N-O 3.18Å; S61-T64 PolarHBondContact O-N 3.06Å; S61-T64 VanDerWaalsContact OG-CB 3.29Å; S61-T64 WeakPolarHBondContact OG-CB 3.48Å; S61-T64 PolarHBondContact OG-N 3.4Å; S61-T64 PolarHBondContact OG-OG1 3.31Å
62	Q	85.5	Confident	80.9	Confident	148 Å²	148	63.8 Å²	63.8	69%	0.692	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-27	170.7	-65.8	-166.5	10.6	0	0	113.4	P88	Q62-P88 HydrophobicContact CB-CG 4.43Å; Q62-P88 VanDerWaalsContact O-CA 3.28Å; Q62-P88 WeakPolarHBondContact O-CA 3.47Å; Q62-P88 WeakPolarHBondContact O-CB 3.29Å
63	K	90.6	Very high	79.6	Confident	104 Å²	104	68.1 Å²	68.1	45%	0.452	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	10.4	-178.1	-71.3	-161.1	-179.3	-156.5	0	113.7	S61 G84 F85 D86 P88	S61-K63 PolarHBondContact O-N 3.28Å; S61-K63 PolarHBondContact OG-N 3.1Å; K63-G84 CarbonylContact O-C 3.47Å; K63-G84 WeakPolarHBondContact O-CA 3.36Å; K63-F85 WeakPolarHBondContact CB-O 3.12Å; K63-F85 PolarHBondContact O-N 2.86Å; K63-D86 WeakPolarHBondContact CE-O 3.42Å; K63-D86 PolarHBondContact NZ-O 3.05Å; K63-P88 HydrophobicContact CG-CG 4.49Å
64	T	90.4	Very high	78.6	Confident	27 Å²	27	67 Å²	67	17%	0.166	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	134.9	-171.8	-40.3	0	0	0	0	112.6	F60 S61 L82 L83	F60-T64 HydrophobicContact CB-CG2 4.2Å; F60-T64 HydrophobicContact CD1-CG2 4.02Å; F60-T64 PolarHBondContact N-O 2.94Å; S61-T64 PolarHBondContact N-O 3.18Å; S61-T64 PolarHBondContact O-N 3.06Å; S61-T64 VanDerWaalsContact OG-CB 3.29Å; S61-T64 WeakPolarHBondContact OG-CB 3.48Å; S61-T64 PolarHBondContact OG-N 3.4Å; S61-T64 PolarHBondContact OG-OG1 3.31Å; T64-L82 HydrophobicContact CG2-CB 4.1Å; T64-L83 CarbonylContact C-O 3.53Å; T64-L83 VanDerWaalsContact CA-O 3.28Å; T64-L83 WeakPolarHBondContact CA-O 3.41Å
65	V	90.8	Very high	78	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.7	167.7	179.3	0	0	0	0	109	I57 Y58 V67 L82 L83 F85 V91 F94 L95	I57-V65 HydrophobicContact CG2-CG1 3.74Å; Y58-V65 WeakPolarHBondContact O-CA 3.34Å; Y58-V65 WeakPolarHBondContact O-CG1 3.29Å; V65-V67 HydrophobicContact CG1-CG2 4.36Å; V65-L82 WeakPolarHBondContact O-CA 3.32Å; V65-L83 HydrophobicContact CB-CB 4.44Å; V65-L83 PolarHBondContact N-O 2.84Å; V65-L83 PolarHBondContact O-N 3.43Å; V65-F85 HydrophobicContact CB-CE2 4.07Å; V65-F85 HydrophobicContact CG2-CD2 4.4Å; V65-F85 HydrophobicContact CG2-CE2 3.7Å; V65-F85 HydrophobicContact CG2-CZ 4.46Å; V65-V91 HydrophobicContact CG2-CG1 3.77Å; V65-F94 HydrophobicContact CB-CD1 4.4Å; V65-F94 HydrophobicContact CG1-CD1 4.12Å; V65-F94 HydrophobicContact CG1-CE1 3.99Å; V65-F94 HydrophobicContact CG2-CD1 4.01Å; V65-L95 HydrophobicContact CG1-CD2 3.95Å; V65-L95 HydrophobicContact CG2-CD1 4.4Å; V65-L95 HydrophobicContact CG2-CD2 4.19Å; V65-L95 HydrophobicContact CG2-CG 4.04Å
66	A	90.7	Very high	77	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	139.4	167.9	0	0	0	0	0	110.2	I57 Y58 F60 Y81 L82	I57-A66 WeakPolarHBondContact CA-O 3.48Å; Y58-A66 HydrophobicContact CD1-CB 4.25Å; Y58-A66 HydrophobicContact CD2-CB 4.33Å; Y58-A66 HydrophobicContact CE1-CB 3.78Å; Y58-A66 HydrophobicContact CE2-CB 3.88Å; Y58-A66 PolarHBondContact N-O 3.45Å; Y58-A66 VanDerWaalsContact N-O 3.08Å; Y58-A66 PolarHBondContact O-N 3.36Å; F60-A66 HydrophobicContact CB-CB 4Å; F60-A66 HydrophobicContact CD2-CB 4.39Å; A66-Y81 WeakPolarHBondContact CA-O 3.44Å; A66-L82 HydrophobicContact CB-CD2 3.84Å
67	V	90.7	Very high	76.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	96.5	175.3	-179.7	0	0	0	0	107.7	I37 I49 I51 N56 I57 V65 T69 Y81 L83	I37-V67 HydrophobicContact CD1-CB 4.48Å; I37-V67 HydrophobicContact CD1-CG1 3.89Å; I37-V67 HydrophobicContact CD1-CG2 3.79Å; I49-V67 HydrophobicContact CG2-CG1 3.88Å; I51-V67 HydrophobicContact CD1-CG1 3.75Å; N56-V67 WeakPolarHBondContact O-CA 3.42Å; I57-V67 HydrophobicContact CG1-CG1 4.24Å; I57-V67 HydrophobicContact CG1-CG2 4.33Å; I57-V67 HydrophobicContact CG2-CG2 4.29Å; V65-V67 HydrophobicContact CG1-CG2 4.36Å; V67-T69 HydrophobicContact CG1-CG2 4.09Å; V67-Y81 PolarHBondContact N-O 3.01Å; V67-Y81 PolarHBondContact O-N 2.98Å; V67-L83 HydrophobicContact CG2-CD1 4.03Å
68	C	86.7	Confident	75.3	Confident	17 Å²	17	70.7 Å²	70.7	12%	0.115	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.6	177.2	-57.8	0	0	0	0	108.8	S55 N56 T80	S55-C68 CarbonylContact C-O 3.51Å; S55-C68 WeakPolarHBondContact CA-O 3.49Å; S55-C68 WeakPolarHBondContact CB-O 3.47Å; N56-C68 HydrophobicContact CB-CB 4.49Å; N56-C68 PolarHBondContact N-O 3.04Å; N56-C68 PolarHBondContact O-N 3.27Å; C68-T80 PolarHBondContact SG-OG1 2.85Å
69	T	82.3	Confident	75.1	Confident	19 Å²	19	68 Å²	68	12%	0.117	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.5	179	57.6	0	0	0	0	111.5	I49 I51 V67 T79	I49-T69 HydrophobicContact CG2-CG2 3.58Å; I51-T69 HydrophobicContact CD1-CG2 4.34Å; V67-T69 HydrophobicContact CG1-CG2 4.09Å; T69-T79 PolarHBondContact N-O 2.9Å; T69-T79 PolarHBondContact O-N 3.06Å; T69-T79 PolarHBondContact OG1-O 2.88Å
70	K	71	Confident	75.2	Confident	47 Å²	47	63.7 Å²	63.7	20%	0.204	36%	0.361	C	S	.	.			trans	-129.9	135.2	-178.2	-171.5	166.7	-168	139	0	109.4	L54 C72 D75 F78	L54-K70 HydrophobicContact CB-CB 4.16Å; L54-K70 HydrophobicContact CD1-CD 4.4Å; K70-C72 WeakPolarHBondContact CE-O 3.35Å; K70-D75 WeakPolarHBondContact CE-O 3.5Å; K70-D75 PolarHBondContact NZ-O 2.84Å; K70-F78 HydrophobicContact CB-CD1 4.13Å; K70-F78 HydrophobicContact CB-CE1 4.45Å; K70-F78 HydrophobicContact CD-CD1 4.23Å; K70-F78 HydrophobicContact CD-CE1 3.85Å; K70-F78 HydrophobicContact CD-CZ 4.5Å; K70-F78 HydrophobicContact CG-CD1 4.47Å
71	K	61.2	Low	75.6	Confident	182 Å²	182	58.9 Å²	58.9	79%	0.791	34%	0.34	S	S	*	.	S	Bend	trans	-79.4	-51.4	-175.9	-70	179.1	-179.7	174.1	0	111.9	D75	K71-D75 WeakPolarHBondContact CB-OD2 3.47Å
72	C	53.7	Low	75.9	Confident	75 Å²	75	57.8 Å²	57.8	51%	0.507	33%	0.33	S	S	.	.	S	Bend	trans	-133.2	157.1	-176.8	-66.6	0	0	0	0	113.1	K70 G74 D75	K70-C72 WeakPolarHBondContact CE-O 3.35Å; C72-G74 PolarHBondContact O-N 3.3Å; C72-D75 WeakPolarHBondContact CB-OD2 3.35Å; C72-D75 PolarHBondContact N-OD2 2.92Å; C72-D75 PolarHBondContact O-N 3.45Å
73	V	48.5	Very low	76.3	Confident	135 Å²	135	50.8 Å²	50.8	82%	0.818	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	111.1	168.1	179.3	0	0	0	0	107.7	L54	L54-V73 HydrophobicContact CD1-CG2 3.79Å
74	G	47.7	Very low	76.5	Confident	73 Å²	73	46.7 Å²	46.7	75%	0.753	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.5	-23.4	-178.5	0	0	0	0	0	114.5	C72 A76	C72-G74 PolarHBondContact O-N 3.3Å; G74-A76 PolarHBondContact O-N 3.17Å
75	D	56.9	Low	76.6	Confident	61 Å²	61	45.7 Å²	45.7	33%	0.326	28%	0.278	S	S	.	.			trans	-58.5	137.1	177.2	-69	-36.8	0	0	0	111.1	K70 K71 C72	K70-D75 WeakPolarHBondContact CE-O 3.5Å; K70-D75 PolarHBondContact NZ-O 2.84Å; K71-D75 WeakPolarHBondContact CB-OD2 3.47Å; C72-D75 WeakPolarHBondContact CB-OD2 3.35Å; C72-D75 PolarHBondContact N-OD2 2.92Å; C72-D75 PolarHBondContact O-N 3.45Å
76	A	56.6	Low	76.5	Confident	84 Å²	84	50 Å²	50	69%	0.694	30%	0.301	S	S	*	.	S	Bend	trans	-79.6	-27.8	173.2	0	0	0	0	0	112.8	G74	G74-A76 PolarHBondContact O-N 3.17Å
77	V	62.9	Low	76.3	Confident	82 Å²	82	52 Å²	52	50%	0.497	32%	0.315	S	S	.	.			trans	-100.1	132.9	-168.9	-173.1	0	0	0	0	110.6
78	F	70.8	Confident	76.1	Confident	67 Å²	67	54.2 Å²	54.2	29%	0.294	33%	0.329	S	S	.	.			trans	-97	167.2	170.5	-54.4	-102.7	0	0	0	110.2	E15 K70	E15-F78 VanDerWaalsContact OE2-CB 3.32Å; E15-F78 WeakPolarHBondContact OE2-CB 3.3Å; E15-F78 PolarHBondContact OE2-N 3.37Å; E15-F78 VanDerWaalsContact OE2-N 3.15Å; K70-F78 HydrophobicContact CB-CD1 4.13Å; K70-F78 HydrophobicContact CB-CE1 4.45Å; K70-F78 HydrophobicContact CD-CD1 4.23Å; K70-F78 HydrophobicContact CD-CE1 3.85Å; K70-F78 HydrophobicContact CD-CZ 4.5Å; K70-F78 HydrophobicContact CG-CD1 4.47Å
79	T	81.7	Confident	76	Confident	37 Å²	37	55.4 Å²	55.4	23%	0.227	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	106.5	167.3	-54	0	0	0	0	108.2	M12 T69 Y81	M12-T79 HydrophobicContact CG-CG2 4.24Å; M12-T79 HydrophobicContact SD-CG2 4.39Å; T69-T79 PolarHBondContact N-O 2.9Å; T69-T79 PolarHBondContact O-N 3.06Å; T69-T79 PolarHBondContact OG1-O 2.88Å; T79-Y81 HydrophobicContact CG2-CD2 4.39Å; T79-Y81 HydrophobicContact CG2-CE1 4.43Å; T79-Y81 HydrophobicContact CG2-CE2 3.66Å
80	T	89.4	Confident	76.4	Confident	12 Å²	12	57.1 Å²	57.1	7%	0.074	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.6	-176.7	-66.8	0	0	0	0	110.8	F13 E15 C68 L82	F13-T80 PolarHBondContact N-O 3.43Å; E15-T80 WeakPolarHBondContact OE1-CB 3.39Å; E15-T80 PolarHBondContact OE1-OG1 2.95Å; C68-T80 PolarHBondContact SG-OG1 2.85Å; T80-L82 HydrophobicContact CG2-CD2 4.21Å
81	Y	93	Very high	77.1	Confident	21 Å²	21	54.9 Å²	54.9	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.6	172.8	-60.3	-88	0	0	0	109.5	L10 R11 M12 L23 K47 I49 A66 V67 T79	L10-Y81 HydrophobicContact CD1-CD1 4.08Å; R11-Y81 WeakPolarHBondContact O-CA 3.38Å; M12-Y81 HydrophobicContact CB-CD1 4.28Å; M12-Y81 HydrophobicContact CB-CE1 4.43Å; M12-Y81 HydrophobicContact CG-CD1 4.11Å; M12-Y81 HydrophobicContact CG-CE1 3.96Å; L23-Y81 HydrophobicContact CD1-CD1 4.44Å; L23-Y81 HydrophobicContact CD1-CE1 4.27Å; K47-Y81 WeakPolarHBondContact CE-OH 3.39Å; K47-Y81 HydrophobicContact CG-CE1 4.49Å; K47-Y81 PolarHBondContact NZ-OH 3.27Å; I49-Y81 HydrophobicContact CD1-CD1 4.06Å; I49-Y81 HydrophobicContact CD1-CD2 3.92Å; I49-Y81 HydrophobicContact CD1-CG 3.66Å; I49-Y81 HydrophobicContact CG1-CD1 4.48Å; I49-Y81 HydrophobicContact CG1-CD2 4.17Å; I49-Y81 HydrophobicContact CG1-CE2 4.28Å; I49-Y81 HydrophobicContact CG1-CG 4.27Å; I49-Y81 HydrophobicContact CG2-CD2 3.93Å; I49-Y81 HydrophobicContact CG2-CE2 4.05Å; A66-Y81 WeakPolarHBondContact CA-O 3.44Å; V67-Y81 PolarHBondContact N-O 3.01Å; V67-Y81 PolarHBondContact O-N 2.98Å; T79-Y81 HydrophobicContact CG2-CD2 4.39Å; T79-Y81 HydrophobicContact CG2-CE1 4.43Å; T79-Y81 HydrophobicContact CG2-CE2 3.66Å
82	L	93.4	Very high	78.2	Confident	23 Å²	23	53.9 Å²	53.9	12%	0.12	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.5	176.1	-57.6	175.8	0	0	0	109	R11 F60 T64 V65 A66 T80	R11-L82 HydrophobicContact CB-CB 4.28Å; R11-L82 PolarHBondContact N-O 2.9Å; R11-L82 PolarHBondContact O-N 2.94Å; F60-L82 HydrophobicContact CD1-CD2 4.35Å; F60-L82 HydrophobicContact CD2-CD2 4.38Å; F60-L82 HydrophobicContact CG-CD2 4.19Å; T64-L82 HydrophobicContact CG2-CB 4.1Å; V65-L82 WeakPolarHBondContact O-CA 3.32Å; A66-L82 HydrophobicContact CB-CD2 3.84Å; T80-L82 HydrophobicContact CG2-CD2 4.21Å
83	L	93.9	Very high	79.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	108.6	176.9	-62.5	171.1	0	0	0	108.5	V8 E9 L10 V29 I37 T64 V65 V67 F85 F94	V8-L83 HydrophobicContact CG1-CB 4.21Å; V8-L83 HydrophobicContact CG1-CD2 4.2Å; E9-L83 WeakPolarHBondContact O-CA 3.23Å; L10-L83 HydrophobicContact CD1-CD2 3.8Å; V29-L83 HydrophobicContact CG2-CD2 4.24Å; I37-L83 HydrophobicContact CG2-CD1 4.46Å; T64-L83 CarbonylContact C-O 3.53Å; T64-L83 VanDerWaalsContact CA-O 3.28Å; T64-L83 WeakPolarHBondContact CA-O 3.41Å; V65-L83 HydrophobicContact CB-CB 4.44Å; V65-L83 PolarHBondContact N-O 2.84Å; V65-L83 PolarHBondContact O-N 3.43Å; V67-L83 HydrophobicContact CG2-CD1 4.03Å; L83-F85 HydrophobicContact CB-CD2 4.41Å; L83-F85 HydrophobicContact CB-CE2 3.57Å; L83-F85 HydrophobicContact CB-CZ 4.01Å; L83-F85 HydrophobicContact CD1-CZ 4.47Å; L83-F85 VanDerWaalsContact O-CD2 3.3Å; L83-F85 WeakPolarHBondContact O-CD2 3.31Å; L83-F85 WeakPolarHBondContact O-CE2 3.46Å; L83-F94 HydrophobicContact CD1-CE1 4.04Å; L83-F94 HydrophobicContact CD1-CE2 4.29Å; L83-F94 HydrophobicContact CD1-CZ 3.71Å
84	G	93.9	Very high	81.6	Confident	18 Å²	18	45 Å²	45	19%	0.186	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.8	176.5	0	0	0	0	0	111.5	V8 E9 K63	V8-G84 CarbonylContact C-O 3.59Å; V8-G84 VanDerWaalsContact CA-O 3.31Å; V8-G84 WeakPolarHBondContact CA-O 3.46Å; V8-G84 WeakPolarHBondContact CG1-O 3.36Å; E9-G84 PolarHBondContact N-O 3.08Å; E9-G84 PolarHBondContact O-N 3.05Å; K63-G84 CarbonylContact O-C 3.47Å; K63-G84 WeakPolarHBondContact O-CA 3.36Å
85	F	93.6	Very high	83.3	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.031	25%	0.254	C	S	.	.			trans	-113.6	151.2	-176.7	-59.8	-102.7	0	0	0	111.2	Y5 V8 K63 V65 L83 S87 D90 V91 F94	Y5-F85 HydrophobicContact CD1-CE1 4.35Å; Y5-F85 HydrophobicContact CD2-CE1 4.38Å; Y5-F85 HydrophobicContact CG-CD1 4.37Å; Y5-F85 AromaticContact CG-CE1 3.88Å; Y5-F85 HydrophobicContact CG-CE1 3.88Å; V8-F85 HydrophobicContact CG2-CD1 3.92Å; V8-F85 HydrophobicContact CG2-CE1 4.02Å; K63-F85 WeakPolarHBondContact CB-O 3.12Å; K63-F85 PolarHBondContact O-N 2.86Å; V65-F85 HydrophobicContact CB-CE2 4.07Å; V65-F85 HydrophobicContact CG2-CD2 4.4Å; V65-F85 HydrophobicContact CG2-CE2 3.7Å; V65-F85 HydrophobicContact CG2-CZ 4.46Å; L83-F85 HydrophobicContact CB-CD2 4.41Å; L83-F85 HydrophobicContact CB-CE2 3.57Å; L83-F85 HydrophobicContact CB-CZ 4.01Å; L83-F85 HydrophobicContact CD1-CZ 4.47Å; L83-F85 VanDerWaalsContact O-CD2 3.3Å; L83-F85 WeakPolarHBondContact O-CD2 3.31Å; L83-F85 WeakPolarHBondContact O-CE2 3.46Å; F85-S87 PolarHBondContact O-N 2.88Å; F85-D90 HydrophobicContact CB-CB 3.96Å; F85-D90 HydrophobicContact CD1-CB 3.79Å; F85-D90 HydrophobicContact CG-CB 4.18Å; F85-V91 HydrophobicContact CB-CG2 3.96Å; F85-V91 HydrophobicContact CD2-CG2 3.83Å; F85-V91 HydrophobicContact CG-CG2 4.13Å; F85-F94 HydrophobicContact CE1-CB 4Å; F85-F94 HydrophobicContact CE1-CD2 4.12Å; F85-F94 HydrophobicContact CE1-CG 4.12Å; F85-F94 HydrophobicContact CE2-CG 4.47Å; F85-F94 HydrophobicContact CZ-CB 3.79Å; F85-F94 HydrophobicContact CZ-CD1 4.05Å; F85-F94 AromaticContact CZ-CD2 3.78Å; F85-F94 HydrophobicContact CZ-CD2 3.78Å; F85-F94 HydrophobicContact CZ-CE2 4.41Å; F85-F94 AromaticContact CZ-CG 3.57Å; F85-F94 HydrophobicContact CZ-CG 3.57Å
86	D	88	Confident	84.6	Confident	89 Å²	89	44.8 Å²	44.8	48%	0.476	27%	0.265	S	S	.	.	S	Bend	trans	-63.7	-40.7	179.1	-85.8	-31	0	0	0	113.5	N7 K63	N7-D86 WeakPolarHBondContact CB-OD2 3.44Å; N7-D86 PolarHBondContact ND2-OD1 2.85Å; N7-D86 PolarHBondContact ND2-OD2 2.88Å; K63-D86 WeakPolarHBondContact CE-O 3.42Å; K63-D86 PolarHBondContact NZ-O 3.05Å
87	S	87.4	Confident	85.5	Confident	42 Å²	42	42.2 Å²	42.2	29%	0.294	24%	0.241	S	C	.	.	S	Bend	trans	-117.5	148.6	-178.8	91.5	0	0	0	0	114.2	F85 G89 D90 V91	F85-S87 PolarHBondContact O-N 2.88Å; S87-G89 PolarHBondContact O-N 2.84Å; S87-G89 VanDerWaalsContact O-N 3.16Å; S87-G89 PolarHBondContact OG-N 2.89Å; S87-G89 VanDerWaalsContact OG-N 3.15Å; S87-D90 WeakPolarHBondContact CB-OD2 3.1Å; S87-D90 PolarHBondContact N-OD2 3.43Å; S87-D90 PolarHBondContact O-N 2.74Å; S87-D90 VanDerWaalsContact OG-CG 3.28Å; S87-D90 PolarHBondContact OG-N 2.83Å; S87-D90 PolarHBondContact OG-OD2 2.82Å; S87-V91 PolarHBondContact O-N 3.49Å
88	P	84.7	Confident	85.7	Confident	48 Å²	48	38.4 Å²	38.4	31%	0.312	22%	0.219	S	C	.	.	H	α-helix	trans	-63.9	-11.8	167.4	-22.6	34.6	0	0	0	114.7	R59 Q62 K63 R92	R59-P88 PolarHBondContact NH2-O 2.8Å; Q62-P88 HydrophobicContact CB-CG 4.43Å; Q62-P88 VanDerWaalsContact O-CA 3.28Å; Q62-P88 WeakPolarHBondContact O-CA 3.47Å; Q62-P88 WeakPolarHBondContact O-CB 3.29Å; K63-P88 HydrophobicContact CG-CG 4.49Å; P88-R92 PolarHBondContact O-N 3.18Å
89	G	85.7	Confident	85.4	Confident	42 Å²	42	39 Å²	39	43%	0.433	22%	0.224	S	C	.	.	H	α-helix	trans	-74.5	-44.9	171.3	0	0	0	0	0	111.6	S87 V91 R92 G93	S87-G89 PolarHBondContact O-N 2.84Å; S87-G89 VanDerWaalsContact O-N 3.16Å; S87-G89 PolarHBondContact OG-N 2.89Å; S87-G89 VanDerWaalsContact OG-N 3.15Å; G89-V91 PolarHBondContact O-N 2.85Å; G89-R92 CarbonylContact O-C 3.53Å; G89-R92 WeakPolarHBondContact O-CA 3.21Å; G89-R92 WeakPolarHBondContact O-CB 3.46Å; G89-R92 PolarHBondContact O-N 3.23Å; G89-G93 PolarHBondContact O-N 2.71Å
90	D	89.8	Confident	84.1	Confident	55 Å²	55	43.3 Å²	43.3	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-43.1	176.4	-58.8	-61	0	0	0	111.3	Y5 F85 S87 R92 G93 F94	Y5-D90 HydrophobicContact CD1-CB 3.96Å; Y5-D90 HydrophobicContact CE1-CB 4.45Å; F85-D90 HydrophobicContact CB-CB 3.96Å; F85-D90 HydrophobicContact CD1-CB 3.79Å; F85-D90 HydrophobicContact CG-CB 4.18Å; S87-D90 WeakPolarHBondContact CB-OD2 3.1Å; S87-D90 PolarHBondContact N-OD2 3.43Å; S87-D90 PolarHBondContact O-N 2.74Å; S87-D90 VanDerWaalsContact OG-CG 3.28Å; S87-D90 PolarHBondContact OG-N 2.83Å; S87-D90 PolarHBondContact OG-OD2 2.82Å; D90-R92 PolarHBondContact O-N 2.81Å; D90-G93 PolarHBondContact O-N 2.85Å; D90-F94 VanDerWaalsContact O-CB 3.3Å; D90-F94 WeakPolarHBondContact O-CB 3.31Å; D90-F94 PolarHBondContact O-N 2.9Å
91	V	86.6	Confident	82.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-36.7	171.7	-178.9	0	0	0	0	111.4	R59 V65 F85 S87 G89 L95	R59-V91 HydrophobicContact CG-CG1 4.22Å; R59-V91 VanDerWaalsContact NH2-CG1 3.29Å; V65-V91 HydrophobicContact CG2-CG1 3.77Å; F85-V91 HydrophobicContact CB-CG2 3.96Å; F85-V91 HydrophobicContact CD2-CG2 3.83Å; F85-V91 HydrophobicContact CG-CG2 4.13Å; S87-V91 PolarHBondContact O-N 3.49Å; G89-V91 PolarHBondContact O-N 2.85Å; V91-L95 HydrophobicContact CG1-CD1 3.99Å; V91-L95 WeakPolarHBondContact O-CB 3.28Å; V91-L95 VanDerWaalsContact O-CD1 3.31Å; V91-L95 WeakPolarHBondContact O-CD1 3.34Å; V91-L95 WeakPolarHBondContact O-CG 3.31Å; V91-L95 PolarHBondContact O-N 2.98Å; V91-L95 VanDerWaalsContact O-N 3.15Å
92	R	84.5	Confident	80.6	Confident	160 Å²	160	48.2 Å²	48.2	60%	0.604	27%	0.267	S	S	*	.	H	α-helix	trans	-74.6	-45.6	178.1	-164.1	-172.6	-56.7	-176.3	2.2	111.4	P88 G89 D90 L95 N96	P88-R92 PolarHBondContact O-N 3.18Å; G89-R92 CarbonylContact O-C 3.53Å; G89-R92 WeakPolarHBondContact O-CA 3.21Å; G89-R92 WeakPolarHBondContact O-CB 3.46Å; G89-R92 PolarHBondContact O-N 3.23Å; D90-R92 PolarHBondContact O-N 2.81Å; R92-L95 PolarHBondContact O-N 3.17Å; R92-N96 WeakPolarHBondContact O-CB 3.08Å; R92-N96 PolarHBondContact O-N 3.28Å; R92-N96 PolarHBondContact O-OD1 2.84Å; R92-N96 VanDerWaalsContact O-OD1 3.09Å
93	G	85	Confident	78.1	Confident	24 Å²	24	50.2 Å²	50.2	25%	0.247	28%	0.281	C	S	.	.	H	α-helix	trans	-61	-44.5	176.4	0	0	0	0	0	112.3	Y5 G89 D90 S97	Y5-G93 PolarHBondContact OH-O 3.29Å; G89-G93 PolarHBondContact O-N 2.71Å; D90-G93 PolarHBondContact O-N 2.85Å; G93-S97 VanDerWaalsContact O-CB 3.3Å; G93-S97 WeakPolarHBondContact O-CB 3.27Å; G93-S97 PolarHBondContact O-N 3.34Å; G93-S97 PolarHBondContact O-OG 3.37Å
94	F	88.3	Confident	75.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.6	-46.4	177.3	-177.3	-88.4	0	0	0	111.2	Y5 V29 L31 I37 I57 V65 L83 F85 D90 S97 S98	Y5-F94 HydrophobicContact CD2-CB 4.33Å; Y5-F94 AromaticContact CD2-CD2 3.76Å; Y5-F94 HydrophobicContact CD2-CD2 3.76Å; Y5-F94 HydrophobicContact CE1-CB 4.49Å; Y5-F94 HydrophobicContact CE2-CB 4Å; Y5-F94 AromaticContact CE2-CD2 3.81Å; Y5-F94 HydrophobicContact CE2-CD2 3.81Å; Y5-F94 HydrophobicContact CE2-CG 4.41Å; Y5-F94 PolarHBondContact OH-N 3.33Å; V29-F94 HydrophobicContact CG1-CD2 4.44Å; V29-F94 HydrophobicContact CG1-CE2 3.75Å; L31-F94 HydrophobicContact CD1-CE2 4.42Å; L31-F94 HydrophobicContact CD2-CE2 4.06Å; L31-F94 HydrophobicContact CD2-CZ 4.23Å; L31-F94 HydrophobicContact CG-CE2 4.26Å; I37-F94 HydrophobicContact CD1-CZ 4.01Å; I37-F94 HydrophobicContact CG1-CZ 4.28Å; I37-F94 HydrophobicContact CG2-CE2 4.41Å; I37-F94 HydrophobicContact CG2-CZ 4.26Å; I57-F94 HydrophobicContact CG2-CE1 4.46Å; V65-F94 HydrophobicContact CB-CD1 4.4Å; V65-F94 HydrophobicContact CG1-CD1 4.12Å; V65-F94 HydrophobicContact CG1-CE1 3.99Å; V65-F94 HydrophobicContact CG2-CD1 4.01Å; L83-F94 HydrophobicContact CD1-CE1 4.04Å; L83-F94 HydrophobicContact CD1-CE2 4.29Å; L83-F94 HydrophobicContact CD1-CZ 3.71Å; F85-F94 HydrophobicContact CE1-CB 4Å; F85-F94 HydrophobicContact CE1-CD2 4.12Å; F85-F94 HydrophobicContact CE1-CG 4.12Å; F85-F94 HydrophobicContact CE2-CG 4.47Å; F85-F94 HydrophobicContact CZ-CB 3.79Å; F85-F94 HydrophobicContact CZ-CD1 4.05Å; F85-F94 AromaticContact CZ-CD2 3.78Å; F85-F94 HydrophobicContact CZ-CD2 3.78Å; F85-F94 HydrophobicContact CZ-CE2 4.41Å; F85-F94 AromaticContact CZ-CG 3.57Å; F85-F94 HydrophobicContact CZ-CG 3.57Å; D90-F94 VanDerWaalsContact O-CB 3.3Å; D90-F94 WeakPolarHBondContact O-CB 3.31Å; D90-F94 PolarHBondContact O-N 2.9Å; F94-S97 CarbonylContact O-C 3.59Å; F94-S97 PolarHBondContact O-N 3.24Å; F94-S98 VanDerWaalsContact O-CB 3.27Å; F94-S98 WeakPolarHBondContact O-CB 3.17Å; F94-S98 PolarHBondContact O-N 3.26Å; F94-S98 PolarHBondContact O-OG 2.75Å
95	L	83.9	Confident	72.3	Confident	28 Å²	28	62 Å²	62	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-50.2	178.3	-75.1	167.5	0	0	0	111.5	I57 R59 V65 V91 R92 S97 S98 D99	I57-L95 HydrophobicContact CG2-CD2 4.13Å; R59-L95 HydrophobicContact CB-CD1 3.81Å; R59-L95 HydrophobicContact CG-CD1 4.47Å; V65-L95 HydrophobicContact CG1-CD2 3.95Å; V65-L95 HydrophobicContact CG2-CD1 4.4Å; V65-L95 HydrophobicContact CG2-CD2 4.19Å; V65-L95 HydrophobicContact CG2-CG 4.04Å; V91-L95 HydrophobicContact CG1-CD1 3.99Å; V91-L95 WeakPolarHBondContact O-CB 3.28Å; V91-L95 VanDerWaalsContact O-CD1 3.31Å; V91-L95 WeakPolarHBondContact O-CD1 3.34Å; V91-L95 WeakPolarHBondContact O-CG 3.31Å; V91-L95 PolarHBondContact O-N 2.98Å; V91-L95 VanDerWaalsContact O-N 3.15Å; R92-L95 PolarHBondContact O-N 3.17Å; L95-S97 PolarHBondContact O-N 3.33Å; L95-S98 WeakPolarHBondContact CA-OG 3.16Å; L95-S98 CarbonylContact O-C 3.55Å; L95-S98 WeakPolarHBondContact O-CA 3.5Å; L95-S98 WeakPolarHBondContact O-CB 3.43Å; L95-S98 PolarHBondContact O-N 3.4Å; L95-S98 PolarHBondContact O-OG 3.36Å; L95-D99 PolarHBondContact O-N 3.46Å
96	N	82.6	Confident	69.3	Low	102 Å²	102	67.9 Å²	67.9	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-58.3	-35.3	175.7	-67	14.1	0	0	0	112.5	R92	R92-N96 WeakPolarHBondContact O-CB 3.08Å; R92-N96 PolarHBondContact O-N 3.28Å; R92-N96 PolarHBondContact O-OD1 2.84Å; R92-N96 VanDerWaalsContact O-OD1 3.09Å
97	S	76.1	Confident	66.6	Low	29 Å²	29	71.4 Å²	71.4	20%	0.203	39%	0.39	C	S	.	.	H	α-helix	trans	-76.1	-27.5	175.1	-55.6	0	0	0	0	112.3	Y5 G93 F94 L95 L100	Y5-S97 PolarHBondContact OH-OG 2.79Å; G93-S97 VanDerWaalsContact O-CB 3.3Å; G93-S97 WeakPolarHBondContact O-CB 3.27Å; G93-S97 PolarHBondContact O-N 3.34Å; G93-S97 PolarHBondContact O-OG 3.37Å; F94-S97 CarbonylContact O-C 3.59Å; F94-S97 PolarHBondContact O-N 3.24Å; L95-S97 PolarHBondContact O-N 3.33Å; S97-L100 WeakPolarHBondContact O-CB 3.15Å; S97-L100 PolarHBondContact O-N 2.82Å
98	S	68.4	Low	63.9	Low	3 Å²	3	77.2 Å²	77.2	2%	0.021	42%	0.418	C	S	.	.	H	α-helix	trans	-79.4	-18.4	177.5	79.1	0	0	0	0	113.3	F94 L95 L100 L101	F94-S98 VanDerWaalsContact O-CB 3.27Å; F94-S98 WeakPolarHBondContact O-CB 3.17Å; F94-S98 PolarHBondContact O-N 3.26Å; F94-S98 PolarHBondContact O-OG 2.75Å; L95-S98 WeakPolarHBondContact CA-OG 3.16Å; L95-S98 CarbonylContact O-C 3.55Å; L95-S98 WeakPolarHBondContact O-CA 3.5Å; L95-S98 WeakPolarHBondContact O-CB 3.43Å; L95-S98 PolarHBondContact O-N 3.4Å; L95-S98 PolarHBondContact O-OG 3.36Å; S98-L100 PolarHBondContact O-N 3.43Å; S98-L101 WeakPolarHBondContact O-CA 3.5Å; S98-L101 WeakPolarHBondContact O-CB 3.3Å; S98-L101 PolarHBondContact O-N 2.99Å
99	D	62.6	Low	61.3	Low	78 Å²	78	82.8 Å²	82.8	42%	0.417	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.4	168.2	-76.4	-52.7	0	0	0	111.6	L95 L101 K102	L95-D99 PolarHBondContact O-N 3.46Å; D99-L101 PolarHBondContact O-N 3.41Å; D99-K102 WeakPolarHBondContact O-CB 3.32Å; D99-K102 PolarHBondContact O-N 2.87Å; D99-K102 VanDerWaalsContact OD1-CE 3.32Å; D99-K102 WeakPolarHBondContact OD1-CE 3.14Å; D99-K102 IonicContact OD1-NZ 3.8Å; D99-K102 PolarHBondContact OD1-NZ 2.73Å
100	L	56	Low	58.7	Low	128 Å²	128	89 Å²	89	67%	0.67	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-72.6	-8.1	171.4	-56	172.9	0	0	0	113.9	S34 S97 S98	S34-L100 WeakPolarHBondContact CB-O 3.45Å; S97-L100 WeakPolarHBondContact O-CB 3.15Å; S97-L100 PolarHBondContact O-N 2.82Å; S98-L100 PolarHBondContact O-N 3.43Å
101	L	53.6	Low	56.2	Low	9 Å²	9	94.4 Å²	94.4	5%	0.047	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-87.2	-15.6	171.2	-54.2	175.6	0	0	0	112.7	L31 S34 I37 I51 I57 S98 D99 P103	L31-L101 HydrophobicContact CD2-CD1 3.59Å; L31-L101 HydrophobicContact CD2-CD2 3.99Å; L31-L101 HydrophobicContact CD2-CG 4.06Å; S34-L101 WeakPolarHBondContact O-CA 3.46Å; S34-L101 WeakPolarHBondContact O-CD2 3.24Å; I37-L101 HydrophobicContact CD1-CD1 4.32Å; I37-L101 HydrophobicContact CG1-CD1 3.97Å; I51-L101 HydrophobicContact CG1-CD1 3.97Å; I51-L101 HydrophobicContact CG2-CB 4.22Å; I57-L101 HydrophobicContact CD1-CD1 3.67Å; S98-L101 WeakPolarHBondContact O-CA 3.5Å; S98-L101 WeakPolarHBondContact O-CB 3.3Å; S98-L101 PolarHBondContact O-N 2.99Å; D99-L101 PolarHBondContact O-N 3.41Å; L101-P103 WeakPolarHBondContact O-CD 3.41Å
102	K	54.4	Low	54.1	Low	128 Å²	128	100.1 Å²	100.1	56%	0.557	51%	0.511	S	S	*	.	S	Bend	trans	-67.4	119.9	178.2	-68.7	173.2	176.7	168.2	0	107.7	D99	D99-K102 WeakPolarHBondContact O-CB 3.32Å; D99-K102 PolarHBondContact O-N 2.87Å; D99-K102 VanDerWaalsContact OD1-CE 3.32Å; D99-K102 WeakPolarHBondContact OD1-CE 3.14Å; D99-K102 IonicContact OD1-NZ 3.8Å; D99-K102 PolarHBondContact OD1-NZ 2.73Å
103	P	41.4	Very low	52.8	Low	65 Å²	65	104.2 Å²	104.2	42%	0.422	53%	0.527	S	S	.	.			trans	-64.3	143	-173.7	24.9	-33.5	0	0	0	111.2	L101 C105	L101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-C105 PolarHBondContact O-N 3.13Å
104	L	36.3	Very low	52	Low	177 Å²	177	106.6 Å²	106.6	93%	0.927	54%	0.536	S	S	*	.			trans	-68.1	70	174.3	-73.8	163.9	0	0	0	111.2	N106	L104-N106 PolarHBondContact O-N 3.39Å; L104-N106 VanDerWaalsContact O-N 3.14Å
105	C	30.2	Very low	51.9	Low	89 Å²	89	107.3 Å²	107.3	60%	0.601	54%	0.541	S	S	*	.			trans	-85.7	76.8	179.7	-72.9	0	0	0	0	111.5	P103	P103-C105 PolarHBondContact O-N 3.13Å
106	N	30.7	Very low	52.2	Low	129 Å²	129	109.5 Å²	109.5	69%	0.69	55%	0.552	S	S	*	*			trans	57.2	115.6	167.9	-63.3	-7.8	0	0	0	117	L104 N108 K109	L104-N106 PolarHBondContact O-N 3.39Å; L104-N106 VanDerWaalsContact O-N 3.14Å; N106-N108 PolarHBondContact O-N 3.18Å; N106-K109 PolarHBondContact O-N 3.1Å; N106-K109 VanDerWaalsContact O-N 3.1Å
107	E	30.6	Very low	52.6	Low	164 Å²	164	105.1 Å²	105.1	77%	0.766	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-4.3	175.2	-61.6	-148.7	99.5	0	0	115.2
108	N	30.2	Very low	53.3	Low	163 Å²	163	107.1 Å²	107.1	87%	0.872	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	9.4	172.2	-73.4	-21.8	0	0	0	114.5	N106	N106-N108 PolarHBondContact O-N 3.18Å
109	K	31.2	Very low	54.3	Low	165 Å²	165	116.3 Å²	116.3	72%	0.717	57%	0.571	S	S	*	*			trans	-135.5	55.6	169.8	-71.8	-159.8	173.4	-167.6	0	113.1	N106 E111	N106-K109 PolarHBondContact O-N 3.1Å; N106-K109 VanDerWaalsContact O-N 3.1Å; K109-E111 PolarHBondContact O-N 3.44Å
110	K	31	Very low	55.7	Low	173 Å²	173	114 Å²	114	75%	0.752	56%	0.557	S	S	*	*			trans	-82.2	18.4	169.2	-131.2	168.6	-169.2	163.1	0	113.8	T112	K110-T112 VanDerWaalsContact C-N 3.28Å; K110-T112 PolarHBondContact O-N 2.91Å
111	E	35.6	Very low	57.4	Low	168 Å²	168	108.5 Å²	108.5	79%	0.785	53%	0.528	S	S	*	.			trans	-61.9	95.1	152.9	-72.2	-174.1	135.1	0	0	108.2	K109 R113	K109-E111 PolarHBondContact O-N 3.44Å; E111-R113 PolarHBondContact O-N 3.37Å
112	T	43.3	Very low	59	Low	121 Å²	121	111.3 Å²	111.3	74%	0.742	54%	0.543	S	S	*	.			trans	-47.2	127.2	152.4	-52.2	0	0	0	0	106.5	K110 T114	K110-T112 VanDerWaalsContact C-N 3.28Å; K110-T112 PolarHBondContact O-N 2.91Å; T112-T114 PolarHBondContact O-N 2.79Å; T112-T114 PolarHBondContact O-OG1 2.65Å
113	R	56.3	Low	60.5	Low	246 Å²	246	108.9 Å²	108.9	93%	0.928	54%	0.542	S	S	*	.			trans	-78.5	69.5	-171.6	-146.4	178.7	-167.7	-172.1	1.9	110	E111 S115	E111-R113 PolarHBondContact O-N 3.37Å; R113-S115 PolarHBondContact O-N 2.82Å
114	T	70.1	Confident	62.4	Low	73 Å²	73	115.6 Å²	115.6	45%	0.448	56%	0.559	S	S	.	*			trans	-45.8	128.6	-178.5	-51	0	0	0	0	109.7	T112 D118 R119	T112-T114 PolarHBondContact O-N 2.79Å; T112-T114 PolarHBondContact O-OG1 2.65Å; T114-D118 HydrophobicContact CG2-CB 3.52Å; T114-R119 HydrophobicContact CG2-CG 3.73Å
115	S	86.1	Confident	64.7	Low	15 Å²	15	107.5 Å²	107.5	11%	0.105	52%	0.518	C	S	.	.			trans	-64.3	159	-175.2	72.7	0	0	0	0	111	R113 F117 D118 R119 E225	R113-S115 PolarHBondContact O-N 2.82Å; S115-F117 PolarHBondContact O-N 2.88Å; S115-D118 PolarHBondContact O-N 3.34Å; S115-D118 VanDerWaalsContact O-N 3.12Å; S115-D118 WeakPolarHBondContact OG-CB 3.23Å; S115-D118 VanDerWaalsContact OG-CG 3.24Å; S115-D118 PolarHBondContact OG-N 3.29Å; S115-D118 VanDerWaalsContact OG-N 3.14Å; S115-D118 PolarHBondContact OG-OD2 3.01Å; S115-R119 WeakPolarHBondContact O-CG 3.39Å; S115-R119 PolarHBondContact O-N 3.4Å; S115-E225 VanDerWaalsContact CB-CG 3.45Å; S115-E225 WeakPolarHBondContact CB-OE1 3.1Å; S115-E225 PolarHBondContact OG-OE1 2.59Å
116	I	89.9	Confident	67.4	Low	74 Å²	74	103.8 Å²	103.8	38%	0.379	49%	0.493	S	S	.	.	H	α-helix	trans	-61.1	-34	-179.8	-69.9	161.3	0	0	0	110.3	R119 R120 E224 H255	I116-R119 PolarHBondContact O-N 3.06Å; I116-R120 WeakPolarHBondContact O-CG 3.5Å; I116-R120 PolarHBondContact O-N 2.93Å; I116-E224 HydrophobicContact CB-CG 4.13Å; I116-H255 VanDerWaalsContact CD1-CE1 3.49Å; I116-H255 WeakPolarHBondContact CD1-CE1 3.41Å
117	F	91.1	Very high	70	Confident	11 Å²	11	102 Å²	102	5%	0.048	49%	0.486	C	S	.	.	H	α-helix	trans	-59.7	-56.8	169.5	-172.1	-78.8	0	0	0	111.9	S115 R119 R120 T121 A126 F130 K222 E224	S115-F117 PolarHBondContact O-N 2.88Å; F117-R119 PolarHBondContact O-N 3.24Å; F117-R119 VanDerWaalsContact O-N 3.1Å; F117-R120 VanDerWaalsContact O-CG 3.27Å; F117-R120 WeakPolarHBondContact O-CG 3.32Å; F117-R120 PolarHBondContact O-N 2.59Å; F117-T121 HydrophobicContact CE1-CG2 3.78Å; F117-T121 HydrophobicContact CZ-CG2 4.04Å; F117-T121 WeakPolarHBondContact O-CB 3.28Å; F117-T121 PolarHBondContact O-N 2.86Å; F117-A126 HydrophobicContact CE1-CB 3.79Å; F117-A126 HydrophobicContact CZ-CB 4.4Å; F117-F130 AromaticContact CE1-CE2 3.87Å; F117-F130 HydrophobicContact CE1-CE2 3.87Å; F117-F130 HydrophobicContact CE1-CZ 4.06Å; F117-F130 HydrophobicContact CE2-CE2 4.48Å; F117-F130 AromaticContact CE2-CZ 3.84Å; F117-F130 HydrophobicContact CE2-CZ 3.84Å; F117-F130 AromaticContact CZ-CE2 3.7Å; F117-F130 HydrophobicContact CZ-CE2 3.7Å; F117-F130 AromaticContact CZ-CZ 3.48Å; F117-F130 HydrophobicContact CZ-CZ 3.48Å; F117-F130 VanDerWaalsContact CZ-CZ 3.48Å; F117-K222 HydrophobicContact CB-CD 4.02Å; F117-K222 HydrophobicContact CD1-CD 3.61Å; F117-K222 HydrophobicContact CD2-CD 4.32Å; F117-K222 HydrophobicContact CE1-CD 4.16Å; F117-K222 HydrophobicContact CG-CD 3.72Å; F117-E224 HydrophobicContact CB-CB 4.5Å; F117-E224 HydrophobicContact CB-CG 4.06Å
118	D	90.4	Very high	72.5	Confident	70 Å²	70	98.9 Å²	98.9	37%	0.374	47%	0.472	S	S	.	.	H	α-helix	trans	-67.2	-13.5	-177.4	-64.6	-18.1	0	0	0	113.3	T114 S115 K222	T114-D118 HydrophobicContact CG2-CB 3.52Å; S115-D118 PolarHBondContact O-N 3.34Å; S115-D118 VanDerWaalsContact O-N 3.12Å; S115-D118 WeakPolarHBondContact OG-CB 3.23Å; S115-D118 VanDerWaalsContact OG-CG 3.24Å; S115-D118 PolarHBondContact OG-N 3.29Å; S115-D118 VanDerWaalsContact OG-N 3.14Å; S115-D118 PolarHBondContact OG-OD2 3.01Å; D118-K222 WeakPolarHBondContact OD1-CE 3.4Å; D118-K222 IonicContact OD1-NZ 2.97Å; D118-K222 PolarHBondContact OD1-NZ 3.47Å; D118-K222 IonicContact OD2-NZ 3.78Å; D118-K222 PolarHBondContact OD2-NZ 3.16Å
119	R	90.1	Very high	75.3	Confident	196 Å²	196	92.6 Å²	92.6	74%	0.74	44%	0.436	S	S	*	.	H	α-helix	trans	-85.7	-19.7	171.2	-73.6	-175.7	65.1	-145.2	-5.6	114.2	T114 S115 I116 F117	T114-R119 HydrophobicContact CG2-CG 3.73Å; S115-R119 WeakPolarHBondContact O-CG 3.39Å; S115-R119 PolarHBondContact O-N 3.4Å; I116-R119 PolarHBondContact O-N 3.06Å; F117-R119 PolarHBondContact O-N 3.24Å; F117-R119 VanDerWaalsContact O-N 3.1Å
120	R	92.3	Very high	78	Confident	31 Å²	31	86.7 Å²	86.7	12%	0.117	41%	0.411	C	S	.	.	H	α-helix	trans	-109.1	-16	-178.8	70	168.2	171.3	-121.2	-10.6	114.3	I116 F117 E224 R248 E251 S252 E414 S494	I116-R120 WeakPolarHBondContact O-CG 3.5Å; I116-R120 PolarHBondContact O-N 2.93Å; F117-R120 VanDerWaalsContact O-CG 3.27Å; F117-R120 WeakPolarHBondContact O-CG 3.32Å; F117-R120 PolarHBondContact O-N 2.59Å; R120-E224 IonicContact CZ-OE1 3.85Å; R120-E224 IonicContact NH2-OE1 3.32Å; R120-E224 PolarHBondContact NH2-OE1 3Å; R120-R248 PolarHBondContact O-NH1 3.47Å; R120-E251 WeakPolarHBondContact CD-OE2 3.32Å; R120-E251 IonicContact CZ-OE2 2.74Å; R120-E251 IonicContact NE-OE2 3.2Å; R120-E251 PolarHBondContact NE-OE2 3.1Å; R120-E251 VanDerWaalsContact NH1-CB 3.26Å; R120-E251 IonicContact NH1-OE2 2.92Å; R120-E251 PolarHBondContact NH1-OE2 2.93Å; R120-S252 PolarHBondContact NH2-OG 2.66Å; R120-E414 IonicContact NH1-OE2 3.56Å; R120-S494 WeakPolarHBondContact O-CA 3.46Å
121	T	90.2	Very high	80.6	Confident	12 Å²	12	83.3 Å²	83.3	7%	0.074	40%	0.397	C	S	.	.	S	Bend	trans	-121.8	133.3	-171.4	-67.5	0	0	0	0	110.8	F117 A126 S494 Q496	F117-T121 HydrophobicContact CE1-CG2 3.78Å; F117-T121 HydrophobicContact CZ-CG2 4.04Å; F117-T121 WeakPolarHBondContact O-CB 3.28Å; F117-T121 PolarHBondContact O-N 2.86Å; T121-A126 HydrophobicContact CG2-CB 3.89Å; T121-S494 WeakPolarHBondContact CA-O 3.16Å; T121-Q496 HydrophobicContact CG2-CG 3.54Å
122	D	87.9	Confident	82.9	Confident	68 Å²	68	78.6 Å²	78.6	36%	0.364	37%	0.374	S	S	.	.			trans	-65.8	141.9	170.9	175.6	-97.1	0	0	0	111.5	W124 S125 A126 S494	D122-W124 VanDerWaalsContact C-N 3.32Å; D122-W124 PolarHBondContact O-N 3.41Å; D122-W124 WeakPolarHBondContact OD1-CA 3.47Å; D122-W124 WeakPolarHBondContact OD1-CB 3.39Å; D122-W124 PolarHBondContact OD1-N 3.5Å; D122-S125 WeakPolarHBondContact O-CB 3.36Å; D122-S125 PolarHBondContact O-N 3.04Å; D122-S125 PolarHBondContact OD1-N 3.33Å; D122-A126 PolarHBondContact O-N 2.94Å; D122-S494 PolarHBondContact N-O 3.31Å
123	S	84.7	Confident	85.1	Confident	76 Å²	76	74.7 Å²	74.7	53%	0.531	35%	0.347	S	S	.	.	H	α-helix	trans	-65.7	-30.7	-173.2	58	0	0	0	0	113.8	V127	S123-V127 VanDerWaalsContact O-CG2 3.3Å; S123-V127 WeakPolarHBondContact O-CG2 3.39Å; S123-V127 PolarHBondContact O-N 3.24Å
124	W	82.9	Confident	86.6	Confident	206 Å²	206	64.1 Å²	64.1	78%	0.78	31%	0.31	S	S	*	.	H	α-helix	trans	-73.5	-40.4	175.4	-61.2	95.7	0	0	0	111.2	D122 A126 V127 Q128	D122-W124 VanDerWaalsContact C-N 3.32Å; D122-W124 PolarHBondContact O-N 3.41Å; D122-W124 WeakPolarHBondContact OD1-CA 3.47Å; D122-W124 WeakPolarHBondContact OD1-CB 3.39Å; D122-W124 PolarHBondContact OD1-N 3.5Å; W124-A126 VanDerWaalsContact C-N 3.35Å; W124-A126 PolarHBondContact O-N 3.21Å; W124-V127 PolarHBondContact O-N 3.16Å; W124-Q128 WeakPolarHBondContact O-CB 3.34Å; W124-Q128 PolarHBondContact O-N 3.29Å
125	S	84.9	Confident	87.6	Confident	8 Å²	8	66.1 Å²	66.1	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-49.2	171.4	-174.7	0	0	0	0	110.6	D122 V127 Q128 Y129 R495 Q496	D122-S125 WeakPolarHBondContact O-CB 3.36Å; D122-S125 PolarHBondContact O-N 3.04Å; D122-S125 PolarHBondContact OD1-N 3.33Å; S125-V127 PolarHBondContact O-N 3.31Å; S125-Q128 PolarHBondContact O-N 2.78Å; S125-Y129 WeakPolarHBondContact O-CB 3.41Å; S125-Y129 PolarHBondContact O-N 3.18Å; S125-R495 VanDerWaalsContact OG-C 3.3Å; S125-R495 PolarHBondContact OG-O 3.35Å; S125-Q496 PolarHBondContact O-OE1 3.36Å; S125-Q496 PolarHBondContact OG-OE1 3.41Å
126	A	86.8	Confident	88	Confident	10 Å²	10	70.2 Å²	70.2	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-57.6	-47.1	179.3	0	0	0	0	0	112.8	F117 T121 D122 W124 Y129 F130	F117-A126 HydrophobicContact CE1-CB 3.79Å; F117-A126 HydrophobicContact CZ-CB 4.4Å; T121-A126 HydrophobicContact CG2-CB 3.89Å; D122-A126 PolarHBondContact O-N 2.94Å; W124-A126 VanDerWaalsContact C-N 3.35Å; W124-A126 PolarHBondContact O-N 3.21Å; A126-Y129 PolarHBondContact O-N 2.94Å; A126-F130 HydrophobicContact CB-CE2 4.36Å; A126-F130 WeakPolarHBondContact O-CD2 3.16Å; A126-F130 PolarHBondContact O-N 3.03Å
127	V	84	Confident	88.1	Confident	91 Å²	91	69.6 Å²	69.6	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-65.3	-46.3	-180	169.3	0	0	0	0	110.9	S123 W124 S125 Y129 Q131	S123-V127 VanDerWaalsContact O-CG2 3.3Å; S123-V127 WeakPolarHBondContact O-CG2 3.39Å; S123-V127 PolarHBondContact O-N 3.24Å; W124-V127 PolarHBondContact O-N 3.16Å; S125-V127 PolarHBondContact O-N 3.31Å; V127-Y129 VanDerWaalsContact C-N 3.3Å; V127-Y129 PolarHBondContact O-N 2.93Å; V127-Q131 VanDerWaalsContact O-CB 3.22Å; V127-Q131 WeakPolarHBondContact O-CB 3.48Å; V127-Q131 PolarHBondContact O-N 3.09Å
128	Q	83.1	Confident	88.1	Confident	99 Å²	99	71.2 Å²	71.2	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-39.9	177.5	-169.5	-179.3	19.7	0	0	111.5	W124 S125 Q131 F132 F658	W124-Q128 WeakPolarHBondContact O-CB 3.34Å; W124-Q128 PolarHBondContact O-N 3.29Å; S125-Q128 PolarHBondContact O-N 2.78Å; Q128-Q131 PolarHBondContact O-N 2.91Å; Q128-F132 WeakPolarHBondContact O-CB 3.48Å; Q128-F132 PolarHBondContact O-N 3.5Å; Q128-F658 HydrophobicContact CG-CZ 4.3Å; Q128-F658 VanDerWaalsContact NE2-CE1 3.29Å
129	Y	89	Confident	88.2	Confident	31 Å²	31	68.5 Å²	68.5	12%	0.122	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-56.5	178.2	-174.2	-99.5	0	0	0	112.5	S125 A126 V127 Q131 F132 Y133 E247 Q496	S125-Y129 WeakPolarHBondContact O-CB 3.41Å; S125-Y129 PolarHBondContact O-N 3.18Å; A126-Y129 PolarHBondContact O-N 2.94Å; V127-Y129 VanDerWaalsContact C-N 3.3Å; V127-Y129 PolarHBondContact O-N 2.93Å; Y129-Q131 VanDerWaalsContact C-N 3.27Å; Y129-Q131 PolarHBondContact O-N 3.31Å; Y129-F132 WeakPolarHBondContact O-CB 3.39Å; Y129-F132 PolarHBondContact O-N 3.32Å; Y129-F132 VanDerWaalsContact O-N 3.15Å; Y129-Y133 HydrophobicContact CD1-CD2 4.35Å; Y129-Y133 HydrophobicContact CD2-CD2 4.31Å; Y129-Y133 HydrophobicContact CD2-CE2 4.09Å; Y129-Y133 HydrophobicContact CE1-CD2 4.01Å; Y129-Y133 HydrophobicContact CE1-CE2 4.21Å; Y129-Y133 AromaticContact CE2-CD2 3.98Å; Y129-Y133 HydrophobicContact CE2-CD2 3.98Å; Y129-Y133 AromaticContact CE2-CE2 3.46Å; Y129-Y133 HydrophobicContact CE2-CE2 3.46Å; Y129-Y133 VanDerWaalsContact CE2-CE2 3.46Å; Y129-Y133 HydrophobicContact CG-CD2 4.48Å; Y129-Y133 AromaticContact CZ-CD2 3.79Å; Y129-Y133 AromaticContact CZ-CE2 3.51Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.33Å; Y129-Y133 PolarHBondContact O-N 2.93Å; Y129-Y133 VanDerWaalsContact O-N 3.14Å; Y129-E247 HydrophobicContact CE2-CB 3.76Å; Y129-E247 HydrophobicContact CE2-CG 3.92Å; Y129-E247 WeakPolarHBondContact CE2-OE2 3.49Å; Y129-E247 VanDerWaalsContact CZ-OE2 3.3Å; Y129-E247 PolarHBondContact OH-OE2 3.1Å; Y129-Q496 VanDerWaalsContact CD1-NE2 3.34Å
130	F	88.5	Confident	88.4	Confident	42 Å²	42	64 Å²	64	18%	0.184	31%	0.313	C	S	.	.	H	α-helix	trans	-68.6	-26.6	179.3	-61.7	-53.4	0	0	0	112.4	F117 A126 S134 A196 S197 K222	F117-F130 AromaticContact CE1-CE2 3.87Å; F117-F130 HydrophobicContact CE1-CE2 3.87Å; F117-F130 HydrophobicContact CE1-CZ 4.06Å; F117-F130 HydrophobicContact CE2-CE2 4.48Å; F117-F130 AromaticContact CE2-CZ 3.84Å; F117-F130 HydrophobicContact CE2-CZ 3.84Å; F117-F130 AromaticContact CZ-CE2 3.7Å; F117-F130 HydrophobicContact CZ-CE2 3.7Å; F117-F130 AromaticContact CZ-CZ 3.48Å; F117-F130 HydrophobicContact CZ-CZ 3.48Å; F117-F130 VanDerWaalsContact CZ-CZ 3.48Å; A126-F130 HydrophobicContact CB-CE2 4.36Å; A126-F130 WeakPolarHBondContact O-CD2 3.16Å; A126-F130 PolarHBondContact O-N 3.03Å; F130-S134 WeakPolarHBondContact O-CB 3.29Å; F130-S134 PolarHBondContact O-N 2.73Å; F130-A196 HydrophobicContact CD1-CB 3.78Å; F130-A196 HydrophobicContact CE1-CB 3.43Å; F130-A196 VanDerWaalsContact CE1-CB 3.43Å; F130-A196 HydrophobicContact CG-CB 4.49Å; F130-A196 HydrophobicContact CZ-CB 3.87Å; F130-S197 WeakPolarHBondContact O-CB 3.3Å; F130-K222 HydrophobicContact CE2-CD 4.3Å; F130-K222 HydrophobicContact CZ-CD 4.34Å
131	Q	86.3	Confident	88.3	Confident	101 Å²	101	65.3 Å²	65.3	47%	0.472	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-45.2	169.5	-176.3	176	-23.7	0	0	111.4	V127 Q128 Y129 Y133 S134 Y135	V127-Q131 VanDerWaalsContact O-CB 3.22Å; V127-Q131 WeakPolarHBondContact O-CB 3.48Å; V127-Q131 PolarHBondContact O-N 3.09Å; Q128-Q131 PolarHBondContact O-N 2.91Å; Y129-Q131 VanDerWaalsContact C-N 3.27Å; Y129-Q131 PolarHBondContact O-N 3.31Å; Q131-Y133 PolarHBondContact O-N 2.95Å; Q131-S134 WeakPolarHBondContact O-CB 3.4Å; Q131-S134 PolarHBondContact O-N 3.04Å; Q131-S134 VanDerWaalsContact O-N 3.1Å; Q131-S134 PolarHBondContact O-OG 2.87Å; Q131-Y135 HydrophobicContact CG-CE2 4.03Å; Q131-Y135 PolarHBondContact NE2-OH 2.82Å; Q131-Y135 WeakPolarHBondContact O-CD2 3.13Å; Q131-Y135 WeakPolarHBondContact O-CE2 3.49Å
132	F	83	Confident	88.4	Confident	69 Å²	69	65.8 Å²	65.8	30%	0.303	32%	0.324	S	S	.	.	H	α-helix	trans	-56.8	-50.3	178.3	-180	-94.3	0	0	0	111.9	Q128 Y129 S134 Y135 Q138	Q128-F132 WeakPolarHBondContact O-CB 3.48Å; Q128-F132 PolarHBondContact O-N 3.5Å; Y129-F132 WeakPolarHBondContact O-CB 3.39Å; Y129-F132 PolarHBondContact O-N 3.32Å; Y129-F132 VanDerWaalsContact O-N 3.15Å; F132-S134 PolarHBondContact O-N 2.98Å; F132-Y135 WeakPolarHBondContact O-CD2 3.28Å; F132-Y135 PolarHBondContact O-N 2.86Å; F132-Q138 HydrophobicContact CD1-CG 4.31Å; F132-Q138 HydrophobicContact CD2-CG 4.32Å; F132-Q138 HydrophobicContact CE1-CB 4.25Å; F132-Q138 HydrophobicContact CE1-CG 3.92Å; F132-Q138 HydrophobicContact CE2-CG 3.94Å; F132-Q138 VanDerWaalsContact CE2-NE2 3.29Å; F132-Q138 HydrophobicContact CG-CG 4.49Å; F132-Q138 HydrophobicContact CZ-CB 4.43Å; F132-Q138 HydrophobicContact CZ-CG 3.72Å
133	Y	90	Very high	88.6	Confident	40 Å²	40	66.4 Å²	66.4	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-70	-12.6	178.4	-77.6	-74.3	0	0	0	114.6	Y129 Q131 Y135 Q139 M142 E247	Y129-Y133 HydrophobicContact CD1-CD2 4.35Å; Y129-Y133 HydrophobicContact CD2-CD2 4.31Å; Y129-Y133 HydrophobicContact CD2-CE2 4.09Å; Y129-Y133 HydrophobicContact CE1-CD2 4.01Å; Y129-Y133 HydrophobicContact CE1-CE2 4.21Å; Y129-Y133 AromaticContact CE2-CD2 3.98Å; Y129-Y133 HydrophobicContact CE2-CD2 3.98Å; Y129-Y133 AromaticContact CE2-CE2 3.46Å; Y129-Y133 HydrophobicContact CE2-CE2 3.46Å; Y129-Y133 VanDerWaalsContact CE2-CE2 3.46Å; Y129-Y133 HydrophobicContact CG-CD2 4.48Å; Y129-Y133 AromaticContact CZ-CD2 3.79Å; Y129-Y133 AromaticContact CZ-CE2 3.51Å; Y129-Y133 WeakPolarHBondContact O-CD2 3.33Å; Y129-Y133 PolarHBondContact O-N 2.93Å; Y129-Y133 VanDerWaalsContact O-N 3.14Å; Q131-Y133 PolarHBondContact O-N 2.95Å; Y133-Y135 VanDerWaalsContact C-N 3.34Å; Y133-Q139 PolarHBondContact O-NE2 3.4Å; Y133-M142 HydrophobicContact CD1-CE 3.91Å; Y133-M142 HydrophobicContact CD1-SD 4.45Å; Y133-M142 HydrophobicContact CE1-CE 3.87Å; Y133-M142 HydrophobicContact CE1-SD 3.81Å; Y133-E247 WeakPolarHBondContact CE2-OE2 3.5Å; Y133-E247 VanDerWaalsContact OH-CD 3.27Å; Y133-E247 PolarHBondContact OH-OE1 3.08Å; Y133-E247 PolarHBondContact OH-OE2 2.85Å
134	S	88.4	Confident	89.1	Confident	24 Å²	24	69 Å²	69	17%	0.168	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.1	172.7	79.4	0	0	0	0	114.9	F130 Q131 F132 M199	F130-S134 WeakPolarHBondContact O-CB 3.29Å; F130-S134 PolarHBondContact O-N 2.73Å; Q131-S134 WeakPolarHBondContact O-CB 3.4Å; Q131-S134 PolarHBondContact O-N 3.04Å; Q131-S134 VanDerWaalsContact O-N 3.1Å; Q131-S134 PolarHBondContact O-OG 2.87Å; F132-S134 PolarHBondContact O-N 2.98Å; S134-M199 VanDerWaalsContact C-CE 3.43Å; S134-M199 WeakPolarHBondContact O-CE 3.44Å
135	Y	90.4	Very high	89.6	Confident	115 Å²	115	59.9 Å²	59.9	45%	0.451	30%	0.296	S	S	.	.			trans	-81.6	126.3	174.2	-68.7	-72.9	0	0	0	111.5	Q131 F132 Y133 S137 Q138 Q139	Q131-Y135 HydrophobicContact CG-CE2 4.03Å; Q131-Y135 PolarHBondContact NE2-OH 2.82Å; Q131-Y135 WeakPolarHBondContact O-CD2 3.13Å; Q131-Y135 WeakPolarHBondContact O-CE2 3.49Å; F132-Y135 WeakPolarHBondContact O-CD2 3.28Å; F132-Y135 PolarHBondContact O-N 2.86Å; Y133-Y135 VanDerWaalsContact C-N 3.34Å; Y135-S137 PolarHBondContact O-N 2.8Å; Y135-Q138 PolarHBondContact O-N 2.99Å; Y135-Q139 PolarHBondContact O-N 3.04Å
136	I	93.6	Very high	90.1	Very high	100 Å²	100	67.8 Å²	67.8	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-58.1	-33.8	177.6	-62.8	174.7	0	0	0	111.5	Q138 Q139 Q140 M199	I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 2.9Å; I136-Q139 PolarHBondContact O-N 3.18Å; I136-Q140 WeakPolarHBondContact O-CB 3.36Å; I136-Q140 PolarHBondContact O-N 3.07Å; I136-M199 HydrophobicContact CG1-CE 4.15Å
137	S	93.6	Very high	90.5	Very high	62 Å²	62	69.7 Å²	69.7	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-35.3	176.2	48.4	0	0	0	0	113.3	Y135 Q140 N141	Y135-S137 PolarHBondContact O-N 2.8Å; S137-Q140 WeakPolarHBondContact O-CB 3.3Å; S137-Q140 PolarHBondContact O-N 2.93Å; S137-N141 PolarHBondContact O-N 2.92Å; S137-N141 PolarHBondContact O-ND2 3.25Å; S137-N141 PolarHBondContact O-OD1 2.89Å
138	Q	89.5	Confident	91.1	Very high	45 Å²	45	66.7 Å²	66.7	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-73.9	-38.5	176.7	-55.3	-57.4	-2.4	0	0	111.5	F132 Y135 I136 Q140 N141 M142	F132-Q138 HydrophobicContact CD1-CG 4.31Å; F132-Q138 HydrophobicContact CD2-CG 4.32Å; F132-Q138 HydrophobicContact CE1-CB 4.25Å; F132-Q138 HydrophobicContact CE1-CG 3.92Å; F132-Q138 HydrophobicContact CE2-CG 3.94Å; F132-Q138 VanDerWaalsContact CE2-NE2 3.29Å; F132-Q138 HydrophobicContact CG-CG 4.49Å; F132-Q138 HydrophobicContact CZ-CB 4.43Å; F132-Q138 HydrophobicContact CZ-CG 3.72Å; Y135-Q138 PolarHBondContact O-N 2.99Å; I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 2.9Å; Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 2.84Å; Q138-N141 PolarHBondContact O-N 2.88Å; Q138-N141 PolarHBondContact OE1-ND2 3.36Å; Q138-M142 WeakPolarHBondContact O-CG 3.44Å; Q138-M142 PolarHBondContact O-N 2.83Å
139	Q	93.7	Very high	91.7	Very high	13 Å²	13	63.1 Å²	63.1	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-38.2	170.3	-59	-69.6	-31.8	0	0	111.5	Y133 Y135 I136 M142 M143 S176 M199	Y133-Q139 PolarHBondContact O-NE2 3.4Å; Y135-Q139 PolarHBondContact O-N 3.04Å; I136-Q139 PolarHBondContact O-N 3.18Å; Q139-M142 HydrophobicContact CG-CE 4.45Å; Q139-M142 PolarHBondContact O-N 2.74Å; Q139-M143 WeakPolarHBondContact O-CB 3.44Å; Q139-M143 WeakPolarHBondContact O-CG 3.33Å; Q139-M143 PolarHBondContact O-N 3.15Å; Q139-S176 VanDerWaalsContact OE1-N 3.08Å; Q139-M199 HydrophobicContact CG-CE 3.61Å; Q139-M199 HydrophobicContact CG-CG 3.98Å; Q139-M199 HydrophobicContact CG-SD 3.79Å
140	Q	93.8	Very high	92.1	Very high	101 Å²	101	63 Å²	63	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-48.5	174.2	-171.4	-167	-54.4	0	0	111.4	I136 S137 Q138 M142 M143 Q144	I136-Q140 WeakPolarHBondContact O-CB 3.36Å; I136-Q140 PolarHBondContact O-N 3.07Å; S137-Q140 WeakPolarHBondContact O-CB 3.3Å; S137-Q140 PolarHBondContact O-N 2.93Å; Q138-Q140 VanDerWaalsContact C-N 3.28Å; Q138-Q140 PolarHBondContact O-N 2.84Å; Q140-M142 VanDerWaalsContact C-N 3.3Å; Q140-M142 PolarHBondContact O-N 3.16Å; Q140-M143 CarbonylContact O-C 3.51Å; Q140-M143 PolarHBondContact O-N 3.18Å; Q140-M143 VanDerWaalsContact O-N 3.12Å; Q140-Q144 HydrophobicContact CG-CG 4.2Å; Q140-Q144 WeakPolarHBondContact O-CB 3.28Å; Q140-Q144 WeakPolarHBondContact O-CG 3.4Å; Q140-Q144 PolarHBondContact O-N 3.04Å
141	N	90.5	Very high	92.5	Very high	59 Å²	59	61.8 Å²	61.8	32%	0.316	30%	0.297	S	S	.	.	H	α-helix	trans	-54.2	-47.2	176.3	-67.5	-21.6	0	0	0	111.1	S137 Q138 M143 Q144 D145	S137-N141 PolarHBondContact O-N 2.92Å; S137-N141 PolarHBondContact O-ND2 3.25Å; S137-N141 PolarHBondContact O-OD1 2.89Å; Q138-N141 PolarHBondContact O-N 2.88Å; Q138-N141 PolarHBondContact OE1-ND2 3.36Å; N141-M143 PolarHBondContact O-N 3.48Å; N141-Q144 PolarHBondContact O-N 2.85Å; N141-D145 PolarHBondContact O-N 3.03Å
142	M	92	Very high	93.1	Very high	22 Å²	22	57 Å²	57	11%	0.108	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-37.6	177	-69.6	-167.9	-64.7	0	0	113.6	Y133 Q138 Q139 Q140 R148 T149	Y133-M142 HydrophobicContact CD1-CE 3.91Å; Y133-M142 HydrophobicContact CD1-SD 4.45Å; Y133-M142 HydrophobicContact CE1-CE 3.87Å; Y133-M142 HydrophobicContact CE1-SD 3.81Å; Q138-M142 WeakPolarHBondContact O-CG 3.44Å; Q138-M142 PolarHBondContact O-N 2.83Å; Q139-M142 HydrophobicContact CG-CE 4.45Å; Q139-M142 PolarHBondContact O-N 2.74Å; Q140-M142 VanDerWaalsContact C-N 3.3Å; Q140-M142 PolarHBondContact O-N 3.16Å; M142-R148 VanDerWaalsContact CG-NH1 3.34Å; M142-R148 PolarHBondContact SD-NH1 3.36Å; M142-R148 PolarHBondContact SD-NH2 2.84Å; M142-R148 VanDerWaalsContact SD-NH2 3.45Å; M142-T149 PolarHBondContact O-OG1 2.86Å
143	M	92.7	Very high	93.8	Very high	81 Å²	81	56.8 Å²	56.8	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-80.2	-20.1	179.1	-71.2	172.4	61.6	0	0	113.6	Q139 Q140 N141 S176 I178	Q139-M143 WeakPolarHBondContact O-CB 3.44Å; Q139-M143 WeakPolarHBondContact O-CG 3.33Å; Q139-M143 PolarHBondContact O-N 3.15Å; Q140-M143 CarbonylContact O-C 3.51Å; Q140-M143 PolarHBondContact O-N 3.18Å; Q140-M143 VanDerWaalsContact O-N 3.12Å; N141-M143 PolarHBondContact O-N 3.48Å; M143-S176 PolarHBondContact SD-OG 2.54Å; M143-I178 HydrophobicContact CE-CD1 4.35Å
144	Q	94	Very high	94.2	Very high	131 Å²	131	60.6 Å²	60.6	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-84.1	-14.6	174.1	-72.7	-171.8	-70.7	0	0	113	Q140 N141 Y146	Q140-Q144 HydrophobicContact CG-CG 4.2Å; Q140-Q144 WeakPolarHBondContact O-CB 3.28Å; Q140-Q144 WeakPolarHBondContact O-CG 3.4Å; Q140-Q144 PolarHBondContact O-N 3.04Å; N141-Q144 PolarHBondContact O-N 2.85Å; Q144-Y146 VanDerWaalsContact C-N 3.33Å; Q144-Y146 PolarHBondContact O-N 2.59Å
145	D	93.3	Very high	94.6	Very high	14 Å²	14	59.4 Å²	59.4	8%	0.075	28%	0.284	C	S	.	.			trans	-66.6	96.2	160.1	-172	-30.8	0	0	0	109	N141 I147 R148 T149 T463 H464	N141-D145 PolarHBondContact O-N 3.03Å; D145-I147 PolarHBondContact OD1-N 3.32Å; D145-R148 HydrophobicContact CB-CB 3.94Å; D145-R148 VanDerWaalsContact CG-CB 3.48Å; D145-R148 WeakPolarHBondContact OD1-CB 3.17Å; D145-R148 PolarHBondContact OD1-N 3.04Å; D145-T149 VanDerWaalsContact O-CB 3.27Å; D145-T149 WeakPolarHBondContact O-CB 3.46Å; D145-T149 PolarHBondContact O-N 3Å; D145-T149 PolarHBondContact O-OG1 2.94Å; D145-T463 WeakPolarHBondContact OD2-CA 3.06Å; D145-T463 WeakPolarHBondContact OD2-CB 3.37Å; D145-H464 IonicContact OD2-CE1 2.72Å; D145-H464 IonicContact OD2-CG 2.85Å; D145-H464 PolarHBondContact OD2-N 3.46Å; D145-H464 IonicContact OD2-ND1 2.71Å; D145-H464 PolarHBondContact OD2-ND1 2.81Å
146	Y	95.5	Very high	95	Very high	174 Å²	174	54 Å²	54	68%	0.682	26%	0.263	S	S	*	.	H	α-helix	trans	-67.6	-34.5	179.8	-179.3	-94.9	0	0	0	112.1	Q144 T149 S150	Q144-Y146 VanDerWaalsContact C-N 3.33Å; Q144-Y146 PolarHBondContact O-N 2.59Å; Y146-T149 PolarHBondContact O-N 2.72Å; Y146-S150 WeakPolarHBondContact O-CB 3.18Å; Y146-S150 PolarHBondContact O-N 2.88Å; Y146-S150 PolarHBondContact O-OG 2.93Å
147	I	95.5	Very high	95.2	Very high	50 Å²	50	52.6 Å²	52.6	26%	0.256	26%	0.256	S	S	.	.	H	α-helix	trans	-66.9	-48.7	-178.1	-59.7	-61.4	0	0	0	109.4	D145 T151 L454 P461 T463	D145-I147 PolarHBondContact OD1-N 3.32Å; I147-T151 WeakPolarHBondContact O-CB 3.42Å; I147-T151 PolarHBondContact O-N 3.44Å; I147-T151 VanDerWaalsContact O-N 3.17Å; I147-T151 PolarHBondContact O-OG1 2.83Å; I147-L454 HydrophobicContact CG2-CD1 3.94Å; I147-P461 HydrophobicContact CD1-CB 3.86Å; I147-P461 HydrophobicContact CD1-CG 4.47Å; I147-P461 HydrophobicContact CG1-CB 4.14Å; I147-T463 HydrophobicContact CB-CG2 4.07Å; I147-T463 HydrophobicContact CG2-CG2 3.8Å
148	R	96.4	Very high	95.4	Very high	27 Å²	27	51.4 Å²	51.4	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-53.2	-63.3	168.1	169.1	-175.7	171.1	149.5	7.2	111	M142 D145 S150 T151 Y152 E238 H464 W465	M142-R148 VanDerWaalsContact CG-NH1 3.34Å; M142-R148 PolarHBondContact SD-NH1 3.36Å; M142-R148 PolarHBondContact SD-NH2 2.84Å; M142-R148 VanDerWaalsContact SD-NH2 3.45Å; D145-R148 HydrophobicContact CB-CB 3.94Å; D145-R148 VanDerWaalsContact CG-CB 3.48Å; D145-R148 WeakPolarHBondContact OD1-CB 3.17Å; D145-R148 PolarHBondContact OD1-N 3.04Å; R148-S150 PolarHBondContact O-N 3.39Å; R148-T151 PolarHBondContact O-N 2.93Å; R148-Y152 HydrophobicContact CG-CD2 4.37Å; R148-Y152 WeakPolarHBondContact O-CD2 3.35Å; R148-Y152 PolarHBondContact O-N 2.94Å; R148-E238 IonicContact CZ-OE2 3.15Å; R148-E238 IonicContact NE-OE2 2.73Å; R148-E238 IonicContact NH1-OE2 3.37Å; R148-E238 PolarHBondContact NH1-OE2 3.45Å; R148-E238 IonicContact NH2-OE2 2.73Å; R148-E238 PolarHBondContact NH2-OE2 3.06Å; R148-H464 PolarHBondContact NH1-CE1 3.33Å; R148-H464 PolarHBondContact NH1-NE2 3.17Å; R148-W465 HydrophobicContact CB-CH2 4.12Å; R148-W465 HydrophobicContact CB-CZ3 4.03Å; R148-W465 HydrophobicContact CG-CH2 3.86Å; R148-W465 HydrophobicContact CG-CZ3 4.3Å
149	T	96.1	Very high	95.8	Very high	25 Å²	25	49.2 Å²	49.2	15%	0.153	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-41.9	-164.8	-57.6	0	0	0	0	112.2	M142 D145 Y146 Q153 I178 F182	M142-T149 PolarHBondContact O-OG1 2.86Å; D145-T149 VanDerWaalsContact O-CB 3.27Å; D145-T149 WeakPolarHBondContact O-CB 3.46Å; D145-T149 PolarHBondContact O-N 3Å; D145-T149 PolarHBondContact O-OG1 2.94Å; Y146-T149 PolarHBondContact O-N 2.72Å; T149-Q153 PolarHBondContact O-N 3.46Å; T149-Q153 VanDerWaalsContact O-N 3.12Å; T149-I178 HydrophobicContact CG2-CG1 4.38Å; T149-F182 HydrophobicContact CG2-CE2 4.16Å; T149-F182 HydrophobicContact CG2-CZ 3.9Å
150	S	96.7	Very high	96	Very high	27 Å²	27	49.5 Å²	49.5	19%	0.189	24%	0.244	C	C	.	.	H	α-helix	trans	-72.1	-32.5	177.5	70.9	0	0	0	0	112.8	Y146 R148 Q153 K154	Y146-S150 WeakPolarHBondContact O-CB 3.18Å; Y146-S150 PolarHBondContact O-N 2.88Å; Y146-S150 PolarHBondContact O-OG 2.93Å; R148-S150 PolarHBondContact O-N 3.39Å; S150-Q153 PolarHBondContact O-N 3.1Å; S150-K154 WeakPolarHBondContact O-CB 3.46Å; S150-K154 PolarHBondContact O-N 3.17Å
151	T	97.9	Very high	96	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-70.4	-39.8	177.4	-57.2	0	0	0	0	111.6	I147 R148 K154 A155 F445 V452 W453 L454	I147-T151 WeakPolarHBondContact O-CB 3.42Å; I147-T151 PolarHBondContact O-N 3.44Å; I147-T151 VanDerWaalsContact O-N 3.17Å; I147-T151 PolarHBondContact O-OG1 2.83Å; R148-T151 PolarHBondContact O-N 2.93Å; T151-K154 PolarHBondContact O-N 3.27Å; T151-A155 WeakPolarHBondContact O-CB 3.42Å; T151-A155 PolarHBondContact O-N 2.87Å; T151-F445 HydrophobicContact CG2-CE2 4.35Å; T151-V452 HydrophobicContact CG2-CG1 3.8Å; T151-W453 WeakPolarHBondContact CG2-O 3.12Å; T151-L454 HydrophobicContact CG2-CB 3.79Å; T151-L454 HydrophobicContact CG2-CD1 4.45Å
152	Y	98.3	Very high	96.2	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-47.9	169.8	-94.2	-87.2	0	0	0	111.9	R148 K154 A155 I156 L179 S237 E238 M240 F445 L454	R148-Y152 HydrophobicContact CG-CD2 4.37Å; R148-Y152 WeakPolarHBondContact O-CD2 3.35Å; R148-Y152 PolarHBondContact O-N 2.94Å; Y152-K154 PolarHBondContact O-N 2.64Å; Y152-A155 PolarHBondContact O-N 3.44Å; Y152-I156 WeakPolarHBondContact O-CG1 3.39Å; Y152-I156 PolarHBondContact O-N 3.12Å; Y152-I156 VanDerWaalsContact O-N 3.1Å; Y152-L179 HydrophobicContact CD1-CD1 3.98Å; Y152-L179 HydrophobicContact CD1-CD2 3.57Å; Y152-L179 HydrophobicContact CD1-CG 4.45Å; Y152-L179 HydrophobicContact CE1-CD1 3.98Å; Y152-L179 HydrophobicContact CE1-CD2 4.38Å; Y152-L179 HydrophobicContact CG-CD2 3.81Å; Y152-S237 VanDerWaalsContact CE1-O 3.25Å; Y152-S237 WeakPolarHBondContact CE1-O 3.46Å; Y152-S237 PolarHBondContact OH-O 2.99Å; Y152-E238 HydrophobicContact CE1-CB 4.48Å; Y152-E238 HydrophobicContact CE2-CB 4.3Å; Y152-E238 HydrophobicContact CE2-CG 3.72Å; Y152-E238 WeakPolarHBondContact OH-CA 3.3Å; Y152-M240 HydrophobicContact CE2-CE 4.27Å; Y152-F445 AromaticContact CD1-CE1 3.84Å; Y152-F445 HydrophobicContact CD1-CE1 3.84Å; Y152-F445 AromaticContact CD1-CZ 3.96Å; Y152-F445 HydrophobicContact CD1-CZ 3.96Å; Y152-F445 HydrophobicContact CD2-CZ 4.03Å; Y152-F445 AromaticContact CE1-CE1 3.45Å; Y152-F445 HydrophobicContact CE1-CE1 3.45Å; Y152-F445 VanDerWaalsContact CE1-CE1 3.45Å; Y152-F445 AromaticContact CE1-CZ 3.67Å; Y152-F445 HydrophobicContact CE1-CZ 3.67Å; Y152-F445 HydrophobicContact CE2-CE1 4.39Å; Y152-F445 AromaticContact CE2-CZ 3.76Å; Y152-F445 HydrophobicContact CE2-CZ 3.76Å; Y152-F445 HydrophobicContact CG-CE1 4.45Å; Y152-F445 HydrophobicContact CG-CZ 4.13Å; Y152-F445 AromaticContact CZ-CE1 3.75Å; Y152-F445 AromaticContact CZ-CZ 3.55Å; Y152-L454 HydrophobicContact CD2-CD2 4.28Å; Y152-L454 HydrophobicContact CE2-CD2 3.95Å
153	Q	98.2	Very high	96.4	Very high	64 Å²	64	46.7 Å²	46.7	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-44.9	176.6	-166.7	-179.7	27.7	0	0	111.6	T149 S150 I156 L157 F182	T149-Q153 PolarHBondContact O-N 3.46Å; T149-Q153 VanDerWaalsContact O-N 3.12Å; S150-Q153 PolarHBondContact O-N 3.1Å; Q153-I156 PolarHBondContact O-N 3.5Å; Q153-L157 HydrophobicContact CG-CD1 3.76Å; Q153-L157 HydrophobicContact CG-CG 4.2Å; Q153-L157 WeakPolarHBondContact O-CB 3.34Å; Q153-L157 VanDerWaalsContact O-CG 3.31Å; Q153-L157 WeakPolarHBondContact O-CG 3.45Å; Q153-L157 PolarHBondContact O-N 2.68Å; Q153-F182 HydrophobicContact CB-CD1 4.15Å; Q153-F182 HydrophobicContact CB-CD2 3.82Å; Q153-F182 HydrophobicContact CB-CE1 4.01Å; Q153-F182 HydrophobicContact CB-CE2 3.67Å; Q153-F182 HydrophobicContact CB-CG 4.06Å; Q153-F182 HydrophobicContact CB-CZ 3.78Å; Q153-F182 HydrophobicContact CG-CD1 3.63Å; Q153-F182 HydrophobicContact CG-CD2 4.18Å; Q153-F182 HydrophobicContact CG-CE1 3.72Å; Q153-F182 HydrophobicContact CG-CE2 4.25Å; Q153-F182 HydrophobicContact CG-CG 3.88Å; Q153-F182 HydrophobicContact CG-CZ 4.04Å
154	K	97.9	Very high	96.6	Very high	119 Å²	119	42.8 Å²	42.8	52%	0.517	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-43.2	178.5	179.1	-176.7	177.8	-174.5	0	112.1	S150 T151 Y152 A158 V452	S150-K154 WeakPolarHBondContact O-CB 3.46Å; S150-K154 PolarHBondContact O-N 3.17Å; T151-K154 PolarHBondContact O-N 3.27Å; Y152-K154 PolarHBondContact O-N 2.64Å; K154-A158 WeakPolarHBondContact O-CB 3.33Å; K154-A158 PolarHBondContact O-N 3.06Å; K154-V452 HydrophobicContact CD-CG1 4.5Å
155	A	98.2	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-49.6	176.4	0	0	0	0	0	111.9	T151 Y152 N159 F336 F445 V452	T151-A155 WeakPolarHBondContact O-CB 3.42Å; T151-A155 PolarHBondContact O-N 2.87Å; Y152-A155 PolarHBondContact O-N 3.44Å; A155-N159 PolarHBondContact O-N 2.86Å; A155-N159 PolarHBondContact O-ND2 2.8Å; A155-F336 HydrophobicContact CB-CD2 4.36Å; A155-F336 HydrophobicContact CB-CE2 4.11Å; A155-F336 WeakPolarHBondContact O-CE2 3.47Å; A155-F445 HydrophobicContact CB-CB 3.64Å; A155-F445 HydrophobicContact CB-CD1 4.08Å; A155-F445 HydrophobicContact CB-CD2 3.74Å; A155-F445 HydrophobicContact CB-CE2 4.44Å; A155-F445 HydrophobicContact CB-CG 3.54Å; A155-V452 HydrophobicContact CB-CB 3.92Å; A155-V452 HydrophobicContact CB-CG1 4.06Å; A155-V452 HydrophobicContact CB-CG2 4.37Å
156	I	98.3	Very high	96.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-45.5	-179.7	-68.4	168.1	0	0	0	111.2	Y152 Q153 A160 F164 F182 A186 F336	Y152-I156 WeakPolarHBondContact O-CG1 3.39Å; Y152-I156 PolarHBondContact O-N 3.12Å; Y152-I156 VanDerWaalsContact O-N 3.1Å; Q153-I156 PolarHBondContact O-N 3.5Å; I156-A160 PolarHBondContact O-N 2.98Å; I156-F164 HydrophobicContact CB-CE2 4.35Å; I156-F164 HydrophobicContact CB-CZ 4.2Å; I156-F164 HydrophobicContact CG1-CE1 4.29Å; I156-F164 HydrophobicContact CG1-CE2 4.41Å; I156-F164 HydrophobicContact CG1-CZ 3.85Å; I156-F164 HydrophobicContact CG2-CD1 4.12Å; I156-F164 HydrophobicContact CG2-CD2 4.29Å; I156-F164 HydrophobicContact CG2-CE1 3.94Å; I156-F164 HydrophobicContact CG2-CE2 4.14Å; I156-F164 HydrophobicContact CG2-CG 4.3Å; I156-F164 HydrophobicContact CG2-CZ 3.97Å; I156-F182 HydrophobicContact CB-CB 4.45Å; I156-F182 HydrophobicContact CD1-CB 3.87Å; I156-F182 HydrophobicContact CD1-CD2 4.41Å; I156-F182 HydrophobicContact CG2-CB 4.14Å; I156-F182 WeakPolarHBondContact CG2-O 3.48Å; I156-A186 HydrophobicContact CG2-CB 3.74Å; I156-F336 HydrophobicContact CG1-CD2 4.05Å; I156-F336 HydrophobicContact CG1-CE2 4.5Å
157	L	98.1	Very high	97	Very high	71 Å²	71	41.4 Å²	41.4	37%	0.372	23%	0.228	S	C	.	.	H	α-helix	trans	-73.2	-35	-179.7	-67.2	-178.5	0	0	0	113.3	Q153 N159 A160 Q185 A186	Q153-L157 HydrophobicContact CG-CD1 3.76Å; Q153-L157 HydrophobicContact CG-CG 4.2Å; Q153-L157 WeakPolarHBondContact O-CB 3.34Å; Q153-L157 VanDerWaalsContact O-CG 3.31Å; Q153-L157 WeakPolarHBondContact O-CG 3.45Å; Q153-L157 PolarHBondContact O-N 2.68Å; L157-N159 PolarHBondContact O-N 2.82Å; L157-A160 WeakPolarHBondContact O-CB 3.14Å; L157-A160 PolarHBondContact O-N 3.48Å; L157-Q185 HydrophobicContact CD2-CB 3.99Å; L157-A186 HydrophobicContact CD2-CB 4.17Å
158	A	97.6	Very high	97	Very high	36 Å²	36	39.8 Å²	39.8	30%	0.298	22%	0.22	S	C	.	.	H	α-helix	trans	-67.2	-24	178.5	0	0	0	0	0	113.4	K154 R450	K154-A158 WeakPolarHBondContact O-CB 3.33Å; K154-A158 PolarHBondContact O-N 3.06Å; A158-R450 HydrophobicContact CB-CB 4.3Å
159	N	97.4	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	10.7	177.3	-67.2	-76.1	0	0	0	113	A155 L157 S161 A162 D163 F336 G447 S448 Q449 R450	A155-N159 PolarHBondContact O-N 2.86Å; A155-N159 PolarHBondContact O-ND2 2.8Å; L157-N159 PolarHBondContact O-N 2.82Å; N159-S161 VanDerWaalsContact C-N 3.3Å; N159-S161 PolarHBondContact O-N 2.85Å; N159-S161 VanDerWaalsContact O-N 3.17Å; N159-A162 PolarHBondContact O-N 3.04Å; N159-D163 HydrophobicContact CB-CB 4.28Å; N159-D163 WeakPolarHBondContact CB-OD2 3.26Å; N159-D163 PolarHBondContact O-N 3.15Å; N159-F336 HydrophobicContact CB-CZ 4.17Å; N159-G447 VanDerWaalsContact OD1-C 3.22Å; N159-G447 WeakPolarHBondContact OD1-CA 3.26Å; N159-S448 PolarHBondContact OD1-N 2.88Å; N159-Q449 VanDerWaalsContact C-OE1 3.31Å; N159-Q449 PolarHBondContact O-OE1 2.76Å; N159-Q449 WeakPolarHBondContact OD1-CA 3.46Å; N159-Q449 WeakPolarHBondContact OD1-CB 3.46Å; N159-Q449 PolarHBondContact OD1-N 2.96Å; N159-R450 PolarHBondContact ND2-O 3.27Å; N159-R450 PolarHBondContact OD1-N 3.23Å; N159-R450 PolarHBondContact OD1-O 3Å
160	A	96.9	Very high	97.2	Very high	19 Å²	19	37.3 Å²	37.3	16%	0.157	21%	0.208	C	C	.	.	I	π-helix	trans	-55.9	-39.1	-168.8	0	0	0	0	0	114.1	I156 L157 F164 R165 A186	I156-A160 PolarHBondContact O-N 2.98Å; L157-A160 WeakPolarHBondContact O-CB 3.14Å; L157-A160 PolarHBondContact O-N 3.48Å; A160-F164 PolarHBondContact O-N 2.94Å; A160-R165 VanDerWaalsContact O-CB 3.24Å; A160-R165 WeakPolarHBondContact O-CB 3.44Å; A160-R165 PolarHBondContact O-N 2.87Å; A160-A186 HydrophobicContact CB-CB 3.64Å
161	S	95.3	Very high	97.3	Very high	73 Å²	73	36 Å²	36	51%	0.51	20%	0.199	S	C	.	.	I	π-helix	trans	-80.4	-20.7	-171.6	65.8	0	0	0	0	114.8	N159 Q449	N159-S161 VanDerWaalsContact C-N 3.3Å; N159-S161 PolarHBondContact O-N 2.85Å; N159-S161 VanDerWaalsContact O-N 3.17Å; S161-Q449 PolarHBondContact OG-NE2 2.97Å; S161-Q449 PolarHBondContact OG-OE1 2.84Å
162	A	94.5	Very high	97.4	Very high	41 Å²	41	35.5 Å²	35.5	34%	0.339	20%	0.196	S	C	.	.	I	π-helix	trans	-100.9	-48.3	175.8	0	0	0	0	0	112.6	N159 Q449	N159-A162 PolarHBondContact O-N 3.04Å; A162-Q449 HydrophobicContact CB-CG 3.59Å; A162-Q449 VanDerWaalsContact N-OE1 3.11Å
163	D	95.6	Very high	97.3	Very high	8 Å²	8	37 Å²	37	4%	0.043	21%	0.211	C	C	.	.	I	π-helix	trans	-95.6	-25.8	-166.1	-63.7	-25.1	0	0	0	113.5	N159 K167 V234 I334 G447 S448	N159-D163 HydrophobicContact CB-CB 4.28Å; N159-D163 WeakPolarHBondContact CB-OD2 3.26Å; N159-D163 PolarHBondContact O-N 3.15Å; D163-K167 VanDerWaalsContact O-CG 3.27Å; D163-K167 WeakPolarHBondContact O-CG 3.32Å; D163-V234 WeakPolarHBondContact O-CG2 3.43Å; D163-I334 HydrophobicContact CB-CG1 4.23Å; D163-G447 WeakPolarHBondContact OD2-CA 3.26Å; D163-S448 WeakPolarHBondContact OD1-CB 3.26Å; D163-S448 PolarHBondContact OD1-OG 3.03Å; D163-S448 PolarHBondContact OD2-N 3.02Å
164	F	97.4	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-114.5	-39.1	-174.1	-67.3	-91	0	0	0	113.8	I156 A160 G166 K167 V169 A183 A186 A188 V234 I236 F336	I156-F164 HydrophobicContact CB-CE2 4.35Å; I156-F164 HydrophobicContact CB-CZ 4.2Å; I156-F164 HydrophobicContact CG1-CE1 4.29Å; I156-F164 HydrophobicContact CG1-CE2 4.41Å; I156-F164 HydrophobicContact CG1-CZ 3.85Å; I156-F164 HydrophobicContact CG2-CD1 4.12Å; I156-F164 HydrophobicContact CG2-CD2 4.29Å; I156-F164 HydrophobicContact CG2-CE1 3.94Å; I156-F164 HydrophobicContact CG2-CE2 4.14Å; I156-F164 HydrophobicContact CG2-CG 4.3Å; I156-F164 HydrophobicContact CG2-CZ 3.97Å; A160-F164 PolarHBondContact O-N 2.94Å; F164-G166 PolarHBondContact O-N 2.88Å; F164-G166 VanDerWaalsContact O-N 3.17Å; F164-K167 VanDerWaalsContact O-CB 3.31Å; F164-K167 WeakPolarHBondContact O-CB 3.5Å; F164-K167 PolarHBondContact O-N 3.31Å; F164-V169 HydrophobicContact CD1-CG2 4.12Å; F164-A183 HydrophobicContact CD1-CB 4.11Å; F164-A183 HydrophobicContact CE1-CB 4.31Å; F164-A186 HydrophobicContact CB-CB 3.54Å; F164-A186 HydrophobicContact CD1-CB 4.43Å; F164-A186 HydrophobicContact CD2-CB 4.38Å; F164-A186 HydrophobicContact CG-CB 3.87Å; F164-A188 WeakPolarHBondContact O-CA 3.47Å; F164-A188 PolarHBondContact O-N 3.15Å; F164-V234 HydrophobicContact CE1-CG1 4.01Å; F164-V234 HydrophobicContact CZ-CG1 4.07Å; F164-I236 HydrophobicContact CE1-CG2 3.9Å; F164-I236 HydrophobicContact CZ-CG2 4.15Å; F164-F336 HydrophobicContact CE2-CD2 4.1Å; F164-F336 AromaticContact CE2-CE2 3.75Å; F164-F336 HydrophobicContact CE2-CE2 3.75Å; F164-F336 HydrophobicContact CE2-CZ 4.4Å; F164-F336 AromaticContact CZ-CD2 3.81Å; F164-F336 HydrophobicContact CZ-CD2 3.81Å; F164-F336 AromaticContact CZ-CE2 3.96Å; F164-F336 HydrophobicContact CZ-CE2 3.96Å
165	R	97.2	Very high	97.3	Very high	175 Å²	175	28.8 Å²	28.8	66%	0.66	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	120.5	-173.9	176.6	171.6	-74.9	-163.5	-3.5	111.7	A160 K167 G187	A160-R165 VanDerWaalsContact O-CB 3.24Å; A160-R165 WeakPolarHBondContact O-CB 3.44Å; A160-R165 PolarHBondContact O-N 2.87Å; R165-K167 PolarHBondContact O-N 3.44Å; R165-G187 WeakPolarHBondContact CA-O 3.47Å
166	G	96.6	Very high	97.2	Very high	46 Å²	46	29.1 Å²	29.1	47%	0.474	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-3.3	-179.9	0	0	0	0	0	114.8	F164 G187 T189	F164-G166 PolarHBondContact O-N 2.88Å; F164-G166 VanDerWaalsContact O-N 3.17Å; G166-G187 PolarHBondContact N-O 2.86Å; G166-T189 VanDerWaalsContact CA-OG1 3.24Å; G166-T189 WeakPolarHBondContact CA-OG1 3.27Å; G166-T189 PolarHBondContact O-OG1 3.3Å
167	K	96.2	Very high	97.1	Very high	69 Å²	69	29.1 Å²	29.1	30%	0.3	18%	0.18	S	C	.	.			trans	-86.9	164.1	-173.9	-58.9	-48.4	-144.1	144.6	0	114.1	D163 F164 R165 A188 T189 D233	D163-K167 VanDerWaalsContact O-CG 3.27Å; D163-K167 WeakPolarHBondContact O-CG 3.32Å; F164-K167 VanDerWaalsContact O-CB 3.31Å; F164-K167 WeakPolarHBondContact O-CB 3.5Å; F164-K167 PolarHBondContact O-N 3.31Å; R165-K167 PolarHBondContact O-N 3.44Å; K167-A188 CarbonylContact O-C 3.59Å; K167-T189 WeakPolarHBondContact O-CB 3.17Å; K167-T189 PolarHBondContact O-N 2.87Å; K167-D233 WeakPolarHBondContact CA-OD2 3.01Å; K167-D233 HydrophobicContact CB-CB 3.88Å; K167-D233 HydrophobicContact CD-CB 4.14Å; K167-D233 HydrophobicContact CG-CB 4.15Å; K167-D233 IonicContact NZ-OD1 3.61Å; K167-D233 PolarHBondContact NZ-OD1 2.9Å
168	V	97.2	Very high	97.2	Very high	15 Å²	15	27.9 Å²	27.9	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.1	169	-171.4	0	0	0	0	109	R190 Y192 E230 V232 D233 V234	V168-R190 WeakPolarHBondContact CA-O 3.42Å; V168-Y192 HydrophobicContact CG1-CD2 4.07Å; V168-Y192 HydrophobicContact CG1-CE2 3.75Å; V168-E230 HydrophobicContact CG1-CG 4.43Å; V168-V232 HydrophobicContact CG1-CB 4.5Å; V168-V232 HydrophobicContact CG1-CG1 3.95Å; V168-D233 PolarHBondContact N-OD2 2.93Å; V168-D233 PolarHBondContact O-N 3.42Å; V168-V234 PolarHBondContact O-N 3.45Å
169	V	98.4	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.9	-172.8	-174.5	0	0	0	0	110.7	F164 A183 A188 R190 V191 Y192 V234 I236	F164-V169 HydrophobicContact CD1-CG2 4.12Å; V169-A183 HydrophobicContact CG1-CB 4.29Å; V169-A183 HydrophobicContact CG2-CB 4.4Å; V169-A188 HydrophobicContact CG2-CB 3.7Å; V169-R190 PolarHBondContact N-O 3.04Å; V169-V191 HydrophobicContact CB-CG1 4.15Å; V169-V191 HydrophobicContact CB-CG2 4.22Å; V169-V191 HydrophobicContact CG1-CG1 4.31Å; V169-V191 CarbonylContact O-C 3.49Å; V169-V191 WeakPolarHBondContact O-CA 3.31Å; V169-Y192 PolarHBondContact O-N 3.38Å; V169-V234 WeakPolarHBondContact CA-O 3.24Å; V169-V234 HydrophobicContact CG1-CB 4.28Å; V169-V234 HydrophobicContact CG1-CG1 4.46Å; V169-V234 HydrophobicContact CG2-CB 4.26Å; V169-I236 HydrophobicContact CG1-CD1 3.95Å; V169-I236 HydrophobicContact CG1-CG1 4.11Å; V169-I236 HydrophobicContact CG1-CG2 4.02Å
170	L	98.6	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.6	169.7	171.4	60	0	0	0	109.3	V172 V194 I223 L228 V232 V234 I235 I236 A256 F259	L170-V172 HydrophobicContact CD1-CG2 4.29Å; L170-V172 HydrophobicContact CD2-CG2 4Å; L170-V172 HydrophobicContact CG-CG2 3.72Å; L170-V194 HydrophobicContact CD1-CB 4.42Å; L170-V194 HydrophobicContact CD1-CG2 3.59Å; L170-I223 HydrophobicContact CD1-CD1 4.15Å; L170-I223 HydrophobicContact CD2-CD1 4.18Å; L170-L228 HydrophobicContact CD1-CD1 4.13Å; L170-L228 HydrophobicContact CD2-CD1 4.3Å; L170-V232 HydrophobicContact CB-CB 4.32Å; L170-V232 HydrophobicContact CB-CG1 4Å; L170-V232 HydrophobicContact CB-CG2 3.85Å; L170-V234 PolarHBondContact N-O 3.49Å; L170-I235 HydrophobicContact CB-CG1 4.4Å; L170-I235 HydrophobicContact CB-CG2 4.42Å; L170-I235 HydrophobicContact CD2-CD1 4.23Å; L170-I235 HydrophobicContact CD2-CG1 4.28Å; L170-I235 HydrophobicContact CD2-CG2 4.23Å; L170-I235 HydrophobicContact CG-CG2 4.24Å; L170-I235 CarbonylContact O-C 3.57Å; L170-I235 WeakPolarHBondContact O-CA 3.48Å; L170-I236 PolarHBondContact O-N 3.02Å; L170-A256 HydrophobicContact CD2-CB 4.09Å; L170-F259 HydrophobicContact CD2-CB 3.91Å; L170-F259 HydrophobicContact CD2-CD2 3.64Å; L170-F259 HydrophobicContact CD2-CG 4.13Å
171	D	98.7	Very high	97.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.4	174.7	-172.7	5.4	0	0	0	108.3	A174 S180 V191 Y192 V194 I236	D171-A174 HydrophobicContact CB-CB 4.19Å; D171-A174 WeakPolarHBondContact OD2-CB 3.41Å; D171-S180 VanDerWaalsContact CB-OG 3.23Å; D171-S180 WeakPolarHBondContact CB-OG 3.46Å; D171-S180 WeakPolarHBondContact OD2-CB 3.45Å; D171-S180 PolarHBondContact OD2-N 3.23Å; D171-S180 PolarHBondContact OD2-OG 3.04Å; D171-V191 HydrophobicContact CB-CG1 4.08Å; D171-Y192 PolarHBondContact N-O 3.33Å; D171-V194 PolarHBondContact O-N 3.22Å; D171-I236 WeakPolarHBondContact CA-O 3.4Å; D171-I236 HydrophobicContact CB-CD1 4.02Å; D171-I236 HydrophobicContact CB-CG1 3.75Å
172	V	98.5	Very high	97.5	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.03	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.4	-169.1	-175.1	0	0	0	0	110.3	L170 I223 I235 I236 S237 M249 A256	L170-V172 HydrophobicContact CD1-CG2 4.29Å; L170-V172 HydrophobicContact CD2-CG2 4Å; L170-V172 HydrophobicContact CG-CG2 3.72Å; V172-I223 HydrophobicContact CG1-CB 4.11Å; V172-I223 HydrophobicContact CG1-CD1 4.4Å; V172-I223 HydrophobicContact CG1-CG1 3.98Å; V172-I223 HydrophobicContact CG1-CG2 4.17Å; V172-I223 HydrophobicContact CG2-CD1 4.27Å; V172-I223 HydrophobicContact CG2-CG1 4.43Å; V172-I235 HydrophobicContact CG2-CG2 3.57Å; V172-I236 PolarHBondContact N-O 3.35Å; V172-S237 WeakPolarHBondContact O-CB 3.27Å; V172-S237 PolarHBondContact O-OG 2.95Å; V172-M249 WeakPolarHBondContact O-CE 3.46Å; V172-A256 HydrophobicContact CG2-CB 3.68Å
173	G	97.4	Very high	97.7	Very high	33 Å²	33	22.2 Å²	22.2	34%	0.34	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	47	-170	0	0	0	0	0	110.4	G175 V194	G173-G175 PolarHBondContact O-N 3.39Å; G173-V194 WeakPolarHBondContact CA-O 3.45Å; G173-V194 PolarHBondContact N-O 2.95Å
174	A	97.7	Very high	97.8	Very high	7 Å²	7	22.6 Å²	22.6	6%	0.058	12%	0.124	C	C	.	.			trans	-61.5	-18.8	-166.7	0	0	0	0	0	114	D171 S176 G177 A193 V194 E195	D171-A174 HydrophobicContact CB-CB 4.19Å; D171-A174 WeakPolarHBondContact OD2-CB 3.41Å; A174-S176 PolarHBondContact O-N 3.49Å; A174-G177 WeakPolarHBondContact O-CA 3.35Å; A174-G177 PolarHBondContact O-N 2.95Å; A174-A193 HydrophobicContact CB-CB 3.84Å; A174-V194 PolarHBondContact N-O 3.32Å; A174-E195 PolarHBondContact N-OE2 2.82Å
175	G	96.8	Very high	97.8	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-122	178.6	0	0	0	0	0	111.5	G173 G177 E195 M199 C203	G173-G175 PolarHBondContact O-N 3.39Å; G175-G177 PolarHBondContact O-N 3.12Å; G175-E195 WeakPolarHBondContact CA-OE2 3.41Å; G175-E195 PolarHBondContact N-OE2 2.82Å; G175-M199 VanDerWaalsContact C-CG 3.46Å; G175-M199 WeakPolarHBondContact O-CG 3.21Å; G175-C203 WeakPolarHBondContact O-CB 3.12Å
176	S	96.6	Very high	97.9	Very high	8 Å²	8	19.8 Å²	19.8	6%	0.056	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.9	172.4	64.9	0	0	0	0	115	Q139 M143 A174 L206	Q139-S176 VanDerWaalsContact OE1-N 3.08Å; M143-S176 PolarHBondContact SD-OG 2.54Å; A174-S176 PolarHBondContact O-N 3.49Å; S176-L206 WeakPolarHBondContact O-CD1 3.35Å
177	G	97.7	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	89.1	9.2	-175.8	0	0	0	0	0	114.6	A174 G175 L179 S180 F181	A174-G177 WeakPolarHBondContact O-CA 3.35Å; A174-G177 PolarHBondContact O-N 2.95Å; G175-G177 PolarHBondContact O-N 3.12Å; G177-L179 VanDerWaalsContact C-N 3.31Å; G177-L179 PolarHBondContact O-N 3.03Å; G177-S180 WeakPolarHBondContact O-CA 3.42Å; G177-S180 VanDerWaalsContact O-CB 3.28Å; G177-S180 WeakPolarHBondContact O-CB 3.22Å; G177-S180 PolarHBondContact O-N 2.88Å; G177-F181 WeakPolarHBondContact O-CD2 3.43Å; G177-F181 PolarHBondContact O-N 2.84Å
178	I	98.3	Very high	98	Very high	45 Å²	45	15.5 Å²	15.5	23%	0.231	10%	0.095	C	C	.	.	H	α-helix	trans	-56.1	-39.3	-171.8	-171.4	58.6	0	0	0	113.7	M143 T149 F181 F182	M143-I178 HydrophobicContact CE-CD1 4.35Å; T149-I178 HydrophobicContact CG2-CG1 4.38Å; I178-F181 PolarHBondContact O-N 3.47Å; I178-F182 HydrophobicContact CD1-CE1 3.81Å; I178-F182 HydrophobicContact CD1-CE2 4.4Å; I178-F182 HydrophobicContact CD1-CZ 3.69Å; I178-F182 HydrophobicContact CG1-CE1 4.21Å; I178-F182 HydrophobicContact CG1-CE2 3.89Å; I178-F182 HydrophobicContact CG1-CZ 3.63Å; I178-F182 WeakPolarHBondContact O-CG 3.09Å; I178-F182 PolarHBondContact O-N 2.89Å
179	L	98.5	Very high	98	Very high	15 Å²	15	17.9 Å²	17.9	8%	0.079	11%	0.11	C	C	.	.	H	α-helix	trans	-70.1	-39.9	176.9	-57.7	-173.3	0	0	0	111.9	Y152 G177 F181 F182 A183 I236 E238	Y152-L179 HydrophobicContact CD1-CD1 3.98Å; Y152-L179 HydrophobicContact CD1-CD2 3.57Å; Y152-L179 HydrophobicContact CD1-CG 4.45Å; Y152-L179 HydrophobicContact CE1-CD1 3.98Å; Y152-L179 HydrophobicContact CE1-CD2 4.38Å; Y152-L179 HydrophobicContact CG-CD2 3.81Å; G177-L179 VanDerWaalsContact C-N 3.31Å; G177-L179 PolarHBondContact O-N 3.03Å; L179-F181 VanDerWaalsContact C-N 3.29Å; L179-F181 PolarHBondContact O-N 3.35Å; L179-F182 HydrophobicContact CD2-CD2 4Å; L179-F182 HydrophobicContact CD2-CE2 4.27Å; L179-F182 PolarHBondContact O-N 3.38Å; L179-F182 VanDerWaalsContact O-N 3.1Å; L179-A183 PolarHBondContact O-N 3.31Å; L179-I236 HydrophobicContact CB-CD1 3.72Å; L179-I236 HydrophobicContact CB-CG1 4.2Å; L179-I236 WeakPolarHBondContact O-CD1 3.47Å; L179-E238 HydrophobicContact CD1-CB 4.28Å
180	S	98.6	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.4	-39.1	169.6	-67.5	0	0	0	0	112.9	D171 G177 A183 I184 V191	D171-S180 VanDerWaalsContact CB-OG 3.23Å; D171-S180 WeakPolarHBondContact CB-OG 3.46Å; D171-S180 WeakPolarHBondContact OD2-CB 3.45Å; D171-S180 PolarHBondContact OD2-N 3.23Å; D171-S180 PolarHBondContact OD2-OG 3.04Å; G177-S180 WeakPolarHBondContact O-CA 3.42Å; G177-S180 VanDerWaalsContact O-CB 3.28Å; G177-S180 WeakPolarHBondContact O-CB 3.22Å; G177-S180 PolarHBondContact O-N 2.88Å; S180-A183 PolarHBondContact O-N 2.9Å; S180-I184 WeakPolarHBondContact O-CG1 3.24Å; S180-I184 PolarHBondContact O-N 3.36Å; S180-V191 VanDerWaalsContact OG-CG1 3.3Å; S180-V191 WeakPolarHBondContact OG-CG1 3.3Å
181	F	98.4	Very high	98	Very high	26 Å²	26	19.6 Å²	19.6	11%	0.114	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-41.9	173.6	-73	-76.2	0	0	0	111.9	G177 I178 L179 I184 Q185 L206 V207 N210 L212 I216	G177-F181 WeakPolarHBondContact O-CD2 3.43Å; G177-F181 PolarHBondContact O-N 2.84Å; I178-F181 PolarHBondContact O-N 3.47Å; L179-F181 VanDerWaalsContact C-N 3.29Å; L179-F181 PolarHBondContact O-N 3.35Å; F181-I184 PolarHBondContact O-N 3.04Å; F181-Q185 WeakPolarHBondContact O-CG 3.38Å; F181-Q185 PolarHBondContact O-N 2.94Å; F181-L206 HydrophobicContact CE2-CB 4.11Å; F181-L206 HydrophobicContact CZ-CB 3.89Å; F181-V207 HydrophobicContact CZ-CG2 4.19Å; F181-N210 HydrophobicContact CE1-CB 3.76Å; F181-N210 HydrophobicContact CZ-CB 4.48Å; F181-L212 HydrophobicContact CD1-CD1 3.6Å; F181-L212 HydrophobicContact CE1-CD1 3.68Å; F181-I216 HydrophobicContact CD1-CD1 4.08Å; F181-I216 HydrophobicContact CE1-CD1 4.13Å; F181-I216 HydrophobicContact CG-CD1 4.38Å; F181-I216 HydrophobicContact CZ-CD1 4.47Å
182	F	98.5	Very high	98	Very high	9 Å²	9	19.7 Å²	19.7	4%	0.039	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-40	175.9	-59	-25.9	0	0	0	112.6	T149 Q153 I156 I178 L179 I184 Q185 A186	T149-F182 HydrophobicContact CG2-CE2 4.16Å; T149-F182 HydrophobicContact CG2-CZ 3.9Å; Q153-F182 HydrophobicContact CB-CD1 4.15Å; Q153-F182 HydrophobicContact CB-CD2 3.82Å; Q153-F182 HydrophobicContact CB-CE1 4.01Å; Q153-F182 HydrophobicContact CB-CE2 3.67Å; Q153-F182 HydrophobicContact CB-CG 4.06Å; Q153-F182 HydrophobicContact CB-CZ 3.78Å; Q153-F182 HydrophobicContact CG-CD1 3.63Å; Q153-F182 HydrophobicContact CG-CD2 4.18Å; Q153-F182 HydrophobicContact CG-CE1 3.72Å; Q153-F182 HydrophobicContact CG-CE2 4.25Å; Q153-F182 HydrophobicContact CG-CG 3.88Å; Q153-F182 HydrophobicContact CG-CZ 4.04Å; I156-F182 HydrophobicContact CB-CB 4.45Å; I156-F182 HydrophobicContact CD1-CB 3.87Å; I156-F182 HydrophobicContact CD1-CD2 4.41Å; I156-F182 HydrophobicContact CG2-CB 4.14Å; I156-F182 WeakPolarHBondContact CG2-O 3.48Å; I178-F182 HydrophobicContact CD1-CE1 3.81Å; I178-F182 HydrophobicContact CD1-CE2 4.4Å; I178-F182 HydrophobicContact CD1-CZ 3.69Å; I178-F182 HydrophobicContact CG1-CE1 4.21Å; I178-F182 HydrophobicContact CG1-CE2 3.89Å; I178-F182 HydrophobicContact CG1-CZ 3.63Å; I178-F182 WeakPolarHBondContact O-CG 3.09Å; I178-F182 PolarHBondContact O-N 2.89Å; L179-F182 HydrophobicContact CD2-CD2 4Å; L179-F182 HydrophobicContact CD2-CE2 4.27Å; L179-F182 PolarHBondContact O-N 3.38Å; L179-F182 VanDerWaalsContact O-N 3.1Å; F182-I184 VanDerWaalsContact C-N 3.32Å; F182-I184 PolarHBondContact O-N 2.82Å; F182-Q185 WeakPolarHBondContact O-CB 3.5Å; F182-Q185 PolarHBondContact O-N 3.43Å; F182-Q185 VanDerWaalsContact O-N 3.17Å; F182-A186 PolarHBondContact O-N 3.35Å
183	A	98.6	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-38.5	174.1	0	0	0	0	0	112.2	F164 V169 L179 S180 A186 G187 A188 V191 I236	F164-A183 HydrophobicContact CD1-CB 4.11Å; F164-A183 HydrophobicContact CE1-CB 4.31Å; V169-A183 HydrophobicContact CG1-CB 4.29Å; V169-A183 HydrophobicContact CG2-CB 4.4Å; L179-A183 PolarHBondContact O-N 3.31Å; S180-A183 PolarHBondContact O-N 2.9Å; A183-A186 PolarHBondContact O-N 3.3Å; A183-G187 PolarHBondContact O-N 3.4Å; A183-A188 HydrophobicContact CB-CB 4.26Å; A183-A188 WeakPolarHBondContact O-CB 3.21Å; A183-A188 PolarHBondContact O-N 3.29Å; A183-V191 HydrophobicContact CB-CG2 3.92Å; A183-I236 HydrophobicContact CB-CD1 4.01Å
184	I	98.4	Very high	98.1	Very high	16 Å²	16	18 Å²	18	8%	0.082	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-38.8	172.7	-69.8	-61.5	0	0	0	112.4	S180 F181 F182 A186 G187 V191 L212 R215 I216	S180-I184 WeakPolarHBondContact O-CG1 3.24Å; S180-I184 PolarHBondContact O-N 3.36Å; F181-I184 PolarHBondContact O-N 3.04Å; F182-I184 VanDerWaalsContact C-N 3.32Å; F182-I184 PolarHBondContact O-N 2.82Å; I184-A186 VanDerWaalsContact C-N 3.33Å; I184-G187 PolarHBondContact O-N 2.97Å; I184-V191 HydrophobicContact CD1-CG2 3.79Å; I184-V191 HydrophobicContact CG1-CG2 3.92Å; I184-L212 HydrophobicContact CB-CD1 4.28Å; I184-L212 HydrophobicContact CG1-CD1 4.37Å; I184-L212 HydrophobicContact CG2-CD1 3.8Å; I184-L212 HydrophobicContact CG2-CD2 3.92Å; I184-R215 HydrophobicContact CD1-CB 3.92Å; I184-I216 HydrophobicContact CD1-CG1 4.2Å; I184-I216 HydrophobicContact CG1-CD1 3.9Å; I184-I216 HydrophobicContact CG1-CG1 3.62Å
185	Q	97.8	Very high	98.1	Very high	110 Å²	110	18.2 Å²	18.2	51%	0.514	10%	0.099	S	C	.	.	H	α-helix	trans	-62.7	-39	173.9	-70.5	170	5.4	0	0	111.8	L157 F181 F182 G187	L157-Q185 HydrophobicContact CD2-CB 3.99Å; F181-Q185 WeakPolarHBondContact O-CG 3.38Å; F181-Q185 PolarHBondContact O-N 2.94Å; F182-Q185 WeakPolarHBondContact O-CB 3.5Å; F182-Q185 PolarHBondContact O-N 3.43Å; F182-Q185 VanDerWaalsContact O-N 3.17Å; Q185-G187 PolarHBondContact O-N 3.29Å
186	A	98.2	Very high	97.9	Very high	6 Å²	6	19.6 Å²	19.6	5%	0.05	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.2	172.8	0	0	0	0	0	113.9	I156 L157 A160 F164 F182 A183 I184	I156-A186 HydrophobicContact CG2-CB 3.74Å; L157-A186 HydrophobicContact CD2-CB 4.17Å; A160-A186 HydrophobicContact CB-CB 3.64Å; F164-A186 HydrophobicContact CB-CB 3.54Å; F164-A186 HydrophobicContact CD1-CB 4.43Å; F164-A186 HydrophobicContact CD2-CB 4.38Å; F164-A186 HydrophobicContact CG-CB 3.87Å; F182-A186 PolarHBondContact O-N 3.35Å; A183-A186 PolarHBondContact O-N 3.3Å; I184-A186 VanDerWaalsContact C-N 3.33Å
187	G	97.9	Very high	97.7	Very high	25 Å²	25	19.4 Å²	19.4	26%	0.258	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	20.3	174.7	0	0	0	0	0	115.1	R165 G166 A183 I184 Q185 T189	R165-G187 WeakPolarHBondContact CA-O 3.47Å; G166-G187 PolarHBondContact N-O 2.86Å; A183-G187 PolarHBondContact O-N 3.4Å; I184-G187 PolarHBondContact O-N 2.97Å; Q185-G187 PolarHBondContact O-N 3.29Å; G187-T189 PolarHBondContact O-N 3.08Å
188	A	98.2	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.			trans	-51.7	130.8	168.4	0	0	0	0	0	110.7	F164 K167 V169 A183 R190 V191 R215	F164-A188 WeakPolarHBondContact O-CA 3.47Å; F164-A188 PolarHBondContact O-N 3.15Å; K167-A188 CarbonylContact O-C 3.59Å; V169-A188 HydrophobicContact CG2-CB 3.7Å; A183-A188 HydrophobicContact CB-CB 4.26Å; A183-A188 WeakPolarHBondContact O-CB 3.21Å; A183-A188 PolarHBondContact O-N 3.29Å; A188-R190 PolarHBondContact O-N 3.16Å; A188-V191 HydrophobicContact CB-CG2 4.1Å; A188-R215 PolarHBondContact O-NH2 3.06Å
189	T	97.4	Very high	97.3	Very high	66 Å²	66	23.2 Å²	23.2	41%	0.405	13%	0.129	S	C	.	.	S	Bend	trans	-56.5	-46.9	174.9	-69.1	0	0	0	0	109.4	G166 K167 G187 R215	G166-T189 VanDerWaalsContact CA-OG1 3.24Å; G166-T189 WeakPolarHBondContact CA-OG1 3.27Å; G166-T189 PolarHBondContact O-OG1 3.3Å; K167-T189 WeakPolarHBondContact O-CB 3.17Å; K167-T189 PolarHBondContact O-N 2.87Å; G187-T189 PolarHBondContact O-N 3.08Å; T189-R215 PolarHBondContact O-NE 3.21Å
190	R	97.9	Very high	97.1	Very high	36 Å²	36	22.9 Å²	22.9	14%	0.136	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	145.5	-172.9	-172.2	142.2	38.4	76.7	14.7	111.5	V168 V169 A188 Y192 G214 R215 E230	V168-R190 WeakPolarHBondContact CA-O 3.42Å; V169-R190 PolarHBondContact N-O 3.04Å; A188-R190 PolarHBondContact O-N 3.16Å; R190-Y192 PolarHBondContact NH1-OH 2.95Å; R190-G214 VanDerWaalsContact CD-O 3.29Å; R190-G214 WeakPolarHBondContact CD-O 3.08Å; R190-R215 CarbonylContact C-O 3.55Å; R190-R215 VanDerWaalsContact CA-O 3.22Å; R190-R215 WeakPolarHBondContact CA-O 3.45Å; R190-E230 IonicContact CZ-OE1 2.73Å; R190-E230 IonicContact CZ-OE2 2.82Å; R190-E230 IonicContact NH1-OE1 2.68Å; R190-E230 PolarHBondContact NH1-OE1 2.88Å; R190-E230 IonicContact NH1-OE2 3.84Å; R190-E230 PolarHBondContact NH1-OE2 2.97Å; R190-E230 VanDerWaalsContact NH1-OE2 3.13Å; R190-E230 IonicContact NH2-OE1 3.64Å; R190-E230 IonicContact NH2-OE2 3.39Å; R190-E230 PolarHBondContact NH2-OE2 3.45Å
191	V	98.6	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.4	178.9	-167.8	0	0	0	0	109.9	V169 D171 S180 A183 I184 A188 R215 I216 V217	V169-V191 HydrophobicContact CB-CG1 4.15Å; V169-V191 HydrophobicContact CB-CG2 4.22Å; V169-V191 HydrophobicContact CG1-CG1 4.31Å; V169-V191 CarbonylContact O-C 3.49Å; V169-V191 WeakPolarHBondContact O-CA 3.31Å; D171-V191 HydrophobicContact CB-CG1 4.08Å; S180-V191 VanDerWaalsContact OG-CG1 3.3Å; S180-V191 WeakPolarHBondContact OG-CG1 3.3Å; A183-V191 HydrophobicContact CB-CG2 3.92Å; I184-V191 HydrophobicContact CD1-CG2 3.79Å; I184-V191 HydrophobicContact CG1-CG2 3.92Å; A188-V191 HydrophobicContact CB-CG2 4.1Å; V191-R215 PolarHBondContact N-O 2.73Å; V191-I216 HydrophobicContact CB-CG1 4.47Å; V191-I216 WeakPolarHBondContact O-CA 3.33Å; V191-V217 PolarHBondContact O-N 2.74Å
192	Y	98.6	Very high	96.8	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	107.2	168.6	-67.4	-65	0	0	0	109.2	V168 V169 D171 R190 V217 I219 L228 P229 E230 V232	V168-Y192 HydrophobicContact CG1-CD2 4.07Å; V168-Y192 HydrophobicContact CG1-CE2 3.75Å; V169-Y192 PolarHBondContact O-N 3.38Å; D171-Y192 PolarHBondContact N-O 3.33Å; R190-Y192 PolarHBondContact NH1-OH 2.95Å; Y192-V217 WeakPolarHBondContact CA-O 3.42Å; Y192-V217 HydrophobicContact CD1-CB 3.87Å; Y192-V217 HydrophobicContact CD1-CG1 4.08Å; Y192-V217 HydrophobicContact CE1-CB 4.04Å; Y192-V217 HydrophobicContact CE1-CG1 4.13Å; Y192-V217 HydrophobicContact CE1-CG2 4.35Å; Y192-I219 HydrophobicContact CD1-CD1 3.83Å; Y192-I219 HydrophobicContact CG-CD1 4.43Å; Y192-L228 HydrophobicContact CD1-CD2 4.21Å; Y192-L228 HydrophobicContact CD2-CD1 4.11Å; Y192-L228 HydrophobicContact CD2-CD2 4.24Å; Y192-L228 HydrophobicContact CG-CD1 4.45Å; Y192-L228 HydrophobicContact CG-CD2 3.85Å; Y192-P229 HydrophobicContact CE1-CG 4.17Å; Y192-P229 WeakPolarHBondContact OH-CG 3.44Å; Y192-E230 HydrophobicContact CE2-CG 4.27Å; Y192-E230 PolarHBondContact OH-OE1 2.69Å; Y192-V232 HydrophobicContact CD2-CG1 4.07Å
193	A	98.6	Very high	96.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	99.1	-180	0	0	0	0	0	109.5	A174 I216 V217 V218 I219	A174-A193 HydrophobicContact CB-CB 3.84Å; A193-I216 HydrophobicContact CB-CG2 3.98Å; A193-V217 PolarHBondContact N-O 3.17Å; A193-V218 HydrophobicContact CB-CG2 4.3Å; A193-V218 CarbonylContact O-C 3.52Å; A193-V218 WeakPolarHBondContact O-CA 3.25Å; A193-I219 PolarHBondContact O-N 3.06Å
194	V	98.3	Very high	96.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.3	-178.2	179.7	0	0	0	0	109.4	L170 D171 G173 A174 I219 G221 I223 I226	L170-V194 HydrophobicContact CD1-CB 4.42Å; L170-V194 HydrophobicContact CD1-CG2 3.59Å; D171-V194 PolarHBondContact O-N 3.22Å; G173-V194 WeakPolarHBondContact CA-O 3.45Å; G173-V194 PolarHBondContact N-O 2.95Å; A174-V194 PolarHBondContact N-O 3.32Å; V194-I219 WeakPolarHBondContact CA-O 3.42Å; V194-I219 HydrophobicContact CG2-CB 4.32Å; V194-G221 WeakPolarHBondContact CG1-O 3.47Å; V194-I223 HydrophobicContact CB-CD1 4.13Å; V194-I223 HydrophobicContact CG1-CB 4.43Å; V194-I223 HydrophobicContact CG1-CD1 3.94Å; V194-I223 HydrophobicContact CG2-CD1 3.98Å; V194-I226 HydrophobicContact CG1-CG1 4.12Å; V194-I226 HydrophobicContact CG2-CD1 3.9Å; V194-I226 HydrophobicContact CG2-CG1 4.3Å
195	E	97.5	Very high	96.6	Very high	11 Å²	11	35 Å²	35	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	123.3	-177.7	176.8	46.4	-126.7	0	0	110.8	A174 G175 S197 M199 A200 I219 S220 G221	A174-E195 PolarHBondContact N-OE2 2.82Å; G175-E195 WeakPolarHBondContact CA-OE2 3.41Å; G175-E195 PolarHBondContact N-OE2 2.82Å; E195-S197 WeakPolarHBondContact OE1-CA 3.36Å; E195-S197 WeakPolarHBondContact OE1-CB 3.32Å; E195-S197 PolarHBondContact OE1-N 3.36Å; E195-S197 PolarHBondContact OE1-OG 3.16Å; E195-M199 HydrophobicContact CG-CB 4.21Å; E195-A200 HydrophobicContact CB-CB 3.98Å; E195-A200 HydrophobicContact CG-CB 3.97Å; E195-I219 PolarHBondContact N-O 3.44Å; E195-S220 CarbonylContact O-C 3.59Å; E195-S220 VanDerWaalsContact O-CA 3.24Å; E195-S220 WeakPolarHBondContact O-CA 3.46Å; E195-G221 PolarHBondContact O-N 3.09Å
196	A	93.6	Very high	96.6	Very high	33 Å²	33	33.3 Å²	33.3	27%	0.273	20%	0.195	S	C	.	.			trans	-87.5	-22.6	-172.9	0	0	0	0	0	113.7	F130 K222	F130-A196 HydrophobicContact CD1-CB 3.78Å; F130-A196 HydrophobicContact CE1-CB 3.43Å; F130-A196 VanDerWaalsContact CE1-CB 3.43Å; F130-A196 HydrophobicContact CG-CB 4.49Å; F130-A196 HydrophobicContact CZ-CB 3.87Å; A196-K222 HydrophobicContact CB-CG 4.3Å
197	S	92.1	Very high	96.6	Very high	3 Å²	3	33 Å²	33	2%	0.021	19%	0.193	C	C	.	.	S	Bend	trans	-86.3	173.1	177.3	75.9	0	0	0	0	112.9	F130 E195 M199 A200	F130-S197 WeakPolarHBondContact O-CB 3.3Å; E195-S197 WeakPolarHBondContact OE1-CA 3.36Å; E195-S197 WeakPolarHBondContact OE1-CB 3.32Å; E195-S197 PolarHBondContact OE1-N 3.36Å; E195-S197 PolarHBondContact OE1-OG 3.16Å; S197-M199 PolarHBondContact O-N 3.41Å; S197-M199 WeakPolarHBondContact OG-CB 3.36Å; S197-M199 PolarHBondContact OG-N 3.15Å; S197-M199 VanDerWaalsContact OG-N 3.16Å; S197-A200 PolarHBondContact O-N 2.77Å
198	N	91.4	Very high	96.6	Very high	121 Å²	121	36.7 Å²	36.7	65%	0.647	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.6	172.4	-67.5	-38.2	0	0	0	113.5	A200 T201	N198-A200 PolarHBondContact O-N 3.28Å; N198-A200 VanDerWaalsContact O-N 3.15Å; N198-T201 WeakPolarHBondContact O-CB 3.34Å; N198-T201 PolarHBondContact O-N 3.09Å; N198-T201 PolarHBondContact O-OG1 3.39Å; N198-T201 VanDerWaalsContact O-OG1 3.09Å
199	M	95.3	Very high	96.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.02	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-24.7	175.6	-166.9	55	52.6	0	0	112.7	S134 I136 Q139 G175 E195 S197 T201 H202 C203	S134-M199 VanDerWaalsContact C-CE 3.43Å; S134-M199 WeakPolarHBondContact O-CE 3.44Å; I136-M199 HydrophobicContact CG1-CE 4.15Å; Q139-M199 HydrophobicContact CG-CE 3.61Å; Q139-M199 HydrophobicContact CG-CG 3.98Å; Q139-M199 HydrophobicContact CG-SD 3.79Å; G175-M199 VanDerWaalsContact C-CG 3.46Å; G175-M199 WeakPolarHBondContact O-CG 3.21Å; E195-M199 HydrophobicContact CG-CB 4.21Å; S197-M199 PolarHBondContact O-N 3.41Å; S197-M199 WeakPolarHBondContact OG-CB 3.36Å; S197-M199 PolarHBondContact OG-N 3.15Å; S197-M199 VanDerWaalsContact OG-N 3.16Å; M199-T201 PolarHBondContact O-N 3.01Å; M199-H202 PolarHBondContact O-N 2.99Å; M199-H202 HydrophobicContact SD-CB 3.67Å; M199-C203 PolarHBondContact O-N 3.21Å
200	A	95.4	Very high	96.6	Very high	8 Å²	8	41.6 Å²	41.6	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-48.9	-32.7	169.8	0	0	0	0	0	113.2	E195 S197 N198 N204 V218	E195-A200 HydrophobicContact CB-CB 3.98Å; E195-A200 HydrophobicContact CG-CB 3.97Å; S197-A200 PolarHBondContact O-N 2.77Å; N198-A200 PolarHBondContact O-N 3.28Å; N198-A200 VanDerWaalsContact O-N 3.15Å; A200-N204 WeakPolarHBondContact O-CB 3.21Å; A200-N204 PolarHBondContact O-N 2.74Å; A200-V218 HydrophobicContact CB-CG1 4.07Å
201	T	95.2	Very high	96.5	Very high	89 Å²	89	48.9 Å²	48.9	55%	0.546	27%	0.27	S	S	.	.	H	α-helix	trans	-68.4	-42.3	177	-47.8	0	0	0	0	112	N198 M199 S205	N198-T201 WeakPolarHBondContact O-CB 3.34Å; N198-T201 PolarHBondContact O-N 3.09Å; N198-T201 PolarHBondContact O-OG1 3.39Å; N198-T201 VanDerWaalsContact O-OG1 3.09Å; M199-T201 PolarHBondContact O-N 3.01Å; T201-S205 WeakPolarHBondContact O-CB 3.49Å; T201-S205 PolarHBondContact O-N 2.92Å; T201-S205 PolarHBondContact O-OG 3.22Å
202	H	96.1	Very high	96.5	Very high	82 Å²	82	50.4 Å²	50.4	38%	0.38	28%	0.278	S	S	.	.	H	α-helix	trans	-73.7	-40.1	176.7	-63.3	-63.6	0	0	0	111.8	M199 N204 S205 L206	M199-H202 PolarHBondContact O-N 2.99Å; M199-H202 HydrophobicContact SD-CB 3.67Å; H202-N204 PolarHBondContact O-N 3.43Å; H202-S205 WeakPolarHBondContact O-CA 3.37Å; H202-S205 WeakPolarHBondContact O-CB 3.47Å; H202-S205 PolarHBondContact O-N 3.18Å; H202-S205 VanDerWaalsContact O-N 3.08Å; H202-L206 WeakPolarHBondContact O-CG 3.35Å; H202-L206 PolarHBondContact O-N 2.84Å
203	C	97.4	Very high	96.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.5	-51.9	170.5	178.7	0	0	0	0	111.4	G175 M199 S205 L206 V207 V218	G175-C203 WeakPolarHBondContact O-CB 3.12Å; M199-C203 PolarHBondContact O-N 3.21Å; C203-S205 VanDerWaalsContact C-N 3.27Å; C203-S205 PolarHBondContact O-N 2.75Å; C203-L206 PolarHBondContact O-N 3.21Å; C203-L206 VanDerWaalsContact O-N 3.16Å; C203-V207 WeakPolarHBondContact O-CG2 3.07Å; C203-V207 PolarHBondContact O-N 3.37Å; C203-V218 HydrophobicContact CB-CG1 4.4Å
204	N	96.8	Very high	95.8	Very high	69 Å²	69	55.1 Å²	55.1	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-39.2	174.8	-179.8	42	0	0	0	111.7	A200 H202 L206 V207 Q208 V218	A200-N204 WeakPolarHBondContact O-CB 3.21Å; A200-N204 PolarHBondContact O-N 2.74Å; H202-N204 PolarHBondContact O-N 3.43Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-L206 PolarHBondContact O-N 3.02Å; N204-V207 WeakPolarHBondContact O-CB 3.39Å; N204-V207 PolarHBondContact O-N 2.79Å; N204-V207 VanDerWaalsContact O-N 3.17Å; N204-Q208 WeakPolarHBondContact O-CG 3.35Å; N204-Q208 PolarHBondContact O-N 3.13Å; N204-Q208 PolarHBondContact OD1-NE2 3.27Å; N204-V218 HydrophobicContact CB-CB 4.3Å; N204-V218 HydrophobicContact CB-CG2 4.1Å
205	S	97	Very high	95.7	Very high	66 Å²	66	59.7 Å²	59.7	46%	0.462	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-41	177.5	-56.9	0	0	0	0	112.1	T201 H202 C203 A209	T201-S205 WeakPolarHBondContact O-CB 3.49Å; T201-S205 PolarHBondContact O-N 2.92Å; T201-S205 PolarHBondContact O-OG 3.22Å; H202-S205 WeakPolarHBondContact O-CA 3.37Å; H202-S205 WeakPolarHBondContact O-CB 3.47Å; H202-S205 PolarHBondContact O-N 3.18Å; H202-S205 VanDerWaalsContact O-N 3.08Å; C203-S205 VanDerWaalsContact C-N 3.27Å; C203-S205 PolarHBondContact O-N 2.75Å; S205-A209 WeakPolarHBondContact O-CB 3.42Å; S205-A209 PolarHBondContact O-N 2.97Å
206	L	97.7	Very high	95.7	Very high	74 Å²	74	59.3 Å²	59.3	39%	0.387	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-40.3	172.9	-68.8	168.1	0	0	0	111.8	S176 F181 H202 C203 N204 A209 N210	S176-L206 WeakPolarHBondContact O-CD1 3.35Å; F181-L206 HydrophobicContact CE2-CB 4.11Å; F181-L206 HydrophobicContact CZ-CB 3.89Å; H202-L206 WeakPolarHBondContact O-CG 3.35Å; H202-L206 PolarHBondContact O-N 2.84Å; C203-L206 PolarHBondContact O-N 3.21Å; C203-L206 VanDerWaalsContact O-N 3.16Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-L206 PolarHBondContact O-N 3.02Å; L206-A209 PolarHBondContact O-N 2.77Å; L206-N210 WeakPolarHBondContact O-CB 3.38Å; L206-N210 PolarHBondContact O-N 3.46Å; L206-N210 PolarHBondContact O-ND2 2.86Å
207	V	98	Very high	96	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-42	176.4	168.7	0	0	0	0	111.8	F181 C203 N204 K211 L212 I216 V218	F181-V207 HydrophobicContact CZ-CG2 4.19Å; C203-V207 WeakPolarHBondContact O-CG2 3.07Å; C203-V207 PolarHBondContact O-N 3.37Å; N204-V207 WeakPolarHBondContact O-CB 3.39Å; N204-V207 PolarHBondContact O-N 2.79Å; N204-V207 VanDerWaalsContact O-N 3.17Å; V207-K211 PolarHBondContact O-N 3.45Å; V207-L212 HydrophobicContact CG1-CB 4.33Å; V207-L212 PolarHBondContact O-N 2.97Å; V207-I216 HydrophobicContact CG1-CB 3.92Å; V207-I216 HydrophobicContact CG1-CG2 4.49Å; V207-I216 HydrophobicContact CG2-CB 3.77Å; V207-I216 HydrophobicContact CG2-CD1 4.04Å; V207-I216 HydrophobicContact CG2-CG1 4.49Å; V207-I216 HydrophobicContact CG2-CG2 3.62Å; V207-V218 HydrophobicContact CG2-CG2 4.1Å
208	Q	97.2	Very high	96.2	Very high	102 Å²	102	61.3 Å²	61.3	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-65.4	-48.5	174	-60.6	-51.8	-42.5	0	0	111.3	N204 N210 K211	N204-Q208 WeakPolarHBondContact O-CG 3.35Å; N204-Q208 PolarHBondContact O-N 3.13Å; N204-Q208 PolarHBondContact OD1-NE2 3.27Å; Q208-N210 VanDerWaalsContact C-N 3.31Å; Q208-N210 PolarHBondContact O-N 2.61Å; Q208-K211 PolarHBondContact O-N 3.06Å
209	A	97.7	Very high	96.5	Very high	76 Å²	76	57.1 Å²	57.1	63%	0.628	32%	0.324	S	S	*	.	H	α-helix	trans	-59.8	-39.2	-178.5	0	0	0	0	0	112.8	S205 L206 K211	S205-A209 WeakPolarHBondContact O-CB 3.42Å; S205-A209 PolarHBondContact O-N 2.97Å; L206-A209 PolarHBondContact O-N 2.77Å; A209-K211 VanDerWaalsContact C-N 3.26Å; A209-K211 PolarHBondContact O-N 2.96Å
210	N	97.9	Very high	96.5	Very high	92 Å²	92	61 Å²	61	49%	0.492	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.4	176.4	-73.1	-83.1	0	0	0	113.9	F181 L206 Q208 L212	F181-N210 HydrophobicContact CE1-CB 3.76Å; F181-N210 HydrophobicContact CZ-CB 4.48Å; L206-N210 WeakPolarHBondContact O-CB 3.38Å; L206-N210 PolarHBondContact O-N 3.46Å; L206-N210 PolarHBondContact O-ND2 2.86Å; Q208-N210 VanDerWaalsContact C-N 3.31Å; Q208-N210 PolarHBondContact O-N 2.61Å; N210-L212 HydrophobicContact CB-CG 4.31Å; N210-L212 PolarHBondContact O-N 2.8Å
211	K	97	Very high	96.4	Very high	190 Å²	190	61.4 Å²	61.4	83%	0.826	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	30.9	178.8	-50.6	173.4	-174.3	172.7	0	113.7	V207 Q208 A209	V207-K211 PolarHBondContact O-N 3.45Å; Q208-K211 PolarHBondContact O-N 3.06Å; A209-K211 VanDerWaalsContact C-N 3.26Å; A209-K211 PolarHBondContact O-N 2.96Å
212	L	97.3	Very high	96.4	Very high	31 Å²	31	58.9 Å²	58.9	16%	0.162	34%	0.338	C	S	.	.			trans	-100.7	7.5	179.5	-64.6	-175.3	0	0	0	113.8	F181 I184 V207 N210 G214 R215 I216	F181-L212 HydrophobicContact CD1-CD1 3.6Å; F181-L212 HydrophobicContact CE1-CD1 3.68Å; I184-L212 HydrophobicContact CB-CD1 4.28Å; I184-L212 HydrophobicContact CG1-CD1 4.37Å; I184-L212 HydrophobicContact CG2-CD1 3.8Å; I184-L212 HydrophobicContact CG2-CD2 3.92Å; V207-L212 HydrophobicContact CG1-CB 4.33Å; V207-L212 PolarHBondContact O-N 2.97Å; N210-L212 HydrophobicContact CB-CG 4.31Å; N210-L212 PolarHBondContact O-N 2.8Å; L212-G214 PolarHBondContact O-N 2.9Å; L212-R215 CarbonylContact O-C 3.53Å; L212-R215 WeakPolarHBondContact O-CA 3.34Å; L212-R215 PolarHBondContact O-N 3.02Å; L212-I216 HydrophobicContact CB-CD1 4.21Å; L212-I216 HydrophobicContact CB-CG1 4.3Å; L212-I216 HydrophobicContact CD1-CD1 3.75Å; L212-I216 HydrophobicContact CD1-CG1 4.45Å; L212-I216 PolarHBondContact O-N 2.86Å
213	A	92.6	Very high	96.4	Very high	52 Å²	52	55.3 Å²	55.3	43%	0.43	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-51	128.9	175.5	0	0	0	0	0	111.6	R215	A213-R215 PolarHBondContact O-N 2.93Å
214	G	90	Very high	96.4	Very high	50 Å²	50	56.3 Å²	56.3	52%	0.515	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-23.9	-176.4	0	0	0	0	0	114.5	R190 L212 I216	R190-G214 VanDerWaalsContact CD-O 3.29Å; R190-G214 WeakPolarHBondContact CD-O 3.08Å; L212-G214 PolarHBondContact O-N 2.9Å; G214-I216 PolarHBondContact N-O 2.8Å
215	R	96.9	Very high	96.2	Very high	99 Å²	99	57.5 Å²	57.5	37%	0.374	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-38.3	163.7	-76.4	-169.5	69.4	-155.7	-1.7	111.9	I184 A188 T189 R190 V191 L212 A213	I184-R215 HydrophobicContact CD1-CB 3.92Å; A188-R215 PolarHBondContact O-NH2 3.06Å; T189-R215 PolarHBondContact O-NE 3.21Å; R190-R215 CarbonylContact C-O 3.55Å; R190-R215 VanDerWaalsContact CA-O 3.22Å; R190-R215 WeakPolarHBondContact CA-O 3.45Å; V191-R215 PolarHBondContact N-O 2.73Å; L212-R215 CarbonylContact O-C 3.53Å; L212-R215 WeakPolarHBondContact O-CA 3.34Å; L212-R215 PolarHBondContact O-N 3.02Å; A213-R215 PolarHBondContact O-N 2.93Å
216	I	98.3	Very high	96.1	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.9	161.5	-55.1	174	0	0	0	107.2	F181 I184 V191 A193 V207 L212 G214 V218	F181-I216 HydrophobicContact CD1-CD1 4.08Å; F181-I216 HydrophobicContact CE1-CD1 4.13Å; F181-I216 HydrophobicContact CG-CD1 4.38Å; F181-I216 HydrophobicContact CZ-CD1 4.47Å; I184-I216 HydrophobicContact CD1-CG1 4.2Å; I184-I216 HydrophobicContact CG1-CD1 3.9Å; I184-I216 HydrophobicContact CG1-CG1 3.62Å; V191-I216 HydrophobicContact CB-CG1 4.47Å; V191-I216 WeakPolarHBondContact O-CA 3.33Å; A193-I216 HydrophobicContact CB-CG2 3.98Å; V207-I216 HydrophobicContact CG1-CB 3.92Å; V207-I216 HydrophobicContact CG1-CG2 4.49Å; V207-I216 HydrophobicContact CG2-CB 3.77Å; V207-I216 HydrophobicContact CG2-CD1 4.04Å; V207-I216 HydrophobicContact CG2-CG1 4.49Å; V207-I216 HydrophobicContact CG2-CG2 3.62Å; L212-I216 HydrophobicContact CB-CD1 4.21Å; L212-I216 HydrophobicContact CB-CG1 4.3Å; L212-I216 HydrophobicContact CD1-CD1 3.75Å; L212-I216 HydrophobicContact CD1-CG1 4.45Å; L212-I216 PolarHBondContact O-N 2.86Å; G214-I216 PolarHBondContact N-O 2.8Å; I216-V218 HydrophobicContact CG2-CG2 4.36Å
217	V	97.9	Very high	95.9	Very high	43 Å²	43	57.4 Å²	57.4	26%	0.261	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	104.4	178.1	179.2	0	0	0	0	107.4	V191 Y192 A193 I219	V191-V217 PolarHBondContact O-N 2.74Å; Y192-V217 WeakPolarHBondContact CA-O 3.42Å; Y192-V217 HydrophobicContact CD1-CB 3.87Å; Y192-V217 HydrophobicContact CD1-CG1 4.08Å; Y192-V217 HydrophobicContact CE1-CB 4.04Å; Y192-V217 HydrophobicContact CE1-CG1 4.13Å; Y192-V217 HydrophobicContact CE1-CG2 4.35Å; A193-V217 PolarHBondContact N-O 3.17Å; V217-I219 HydrophobicContact CG1-CG1 4.35Å
218	V	97.8	Very high	95.8	Very high	34 Å²	34	58.4 Å²	58.4	21%	0.206	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.3	179.6	-171.2	0	0	0	0	109.6	A193 A200 C203 N204 V207 I216	A193-V218 HydrophobicContact CB-CG2 4.3Å; A193-V218 CarbonylContact O-C 3.52Å; A193-V218 WeakPolarHBondContact O-CA 3.25Å; A200-V218 HydrophobicContact CB-CG1 4.07Å; C203-V218 HydrophobicContact CB-CG1 4.4Å; N204-V218 HydrophobicContact CB-CB 4.3Å; N204-V218 HydrophobicContact CB-CG2 4.1Å; V207-V218 HydrophobicContact CG2-CG2 4.1Å; I216-V218 HydrophobicContact CG2-CG2 4.36Å
219	I	97	Very high	95.6	Very high	34 Å²	34	56.1 Å²	56.1	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.2	179.9	-58.3	177.6	0	0	0	107.4	Y192 A193 V194 E195 V217 I226 L228	Y192-I219 HydrophobicContact CD1-CD1 3.83Å; Y192-I219 HydrophobicContact CG-CD1 4.43Å; A193-I219 PolarHBondContact O-N 3.06Å; V194-I219 WeakPolarHBondContact CA-O 3.42Å; V194-I219 HydrophobicContact CG2-CB 4.32Å; E195-I219 PolarHBondContact N-O 3.44Å; V217-I219 HydrophobicContact CG1-CG1 4.35Å; I219-I226 HydrophobicContact CG2-CB 4.18Å; I219-I226 HydrophobicContact CG2-CG2 3.81Å; I219-L228 HydrophobicContact CD1-CD2 3.47Å; I219-L228 VanDerWaalsContact CD1-CD2 3.47Å
220	S	96.2	Very high	95.4	Very high	84 Å²	84	55 Å²	55	59%	0.587	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.7	177.1	-170.3	0	0	0	0	110.7	E195	E195-S220 CarbonylContact O-C 3.59Å; E195-S220 VanDerWaalsContact O-CA 3.24Å; E195-S220 WeakPolarHBondContact O-CA 3.46Å
221	G	93	Very high	95.3	Very high	18 Å²	18	53.8 Å²	53.8	19%	0.186	31%	0.307	C	S	.	.	S	Bend	trans	148.8	169.4	-179.8	0	0	0	0	0	114.1	V194 E195	V194-G221 WeakPolarHBondContact CG1-O 3.47Å; E195-G221 PolarHBondContact O-N 3.09Å
222	K	94.8	Very high	95.3	Very high	35 Å²	35	44.8 Å²	44.8	15%	0.152	27%	0.267	C	S	.	.			trans	-77	143.5	178.3	-44.1	-167.2	-159.2	107.8	0	111	F117 D118 F130 A196 E224 E225 I226	F117-K222 HydrophobicContact CB-CD 4.02Å; F117-K222 HydrophobicContact CD1-CD 3.61Å; F117-K222 HydrophobicContact CD2-CD 4.32Å; F117-K222 HydrophobicContact CE1-CD 4.16Å; F117-K222 HydrophobicContact CG-CD 3.72Å; D118-K222 WeakPolarHBondContact OD1-CE 3.4Å; D118-K222 IonicContact OD1-NZ 2.97Å; D118-K222 PolarHBondContact OD1-NZ 3.47Å; D118-K222 IonicContact OD2-NZ 3.78Å; D118-K222 PolarHBondContact OD2-NZ 3.16Å; F130-K222 HydrophobicContact CE2-CD 4.3Å; F130-K222 HydrophobicContact CZ-CD 4.34Å; A196-K222 HydrophobicContact CB-CG 4.3Å; K222-E224 PolarHBondContact O-N 3.01Å; K222-E224 VanDerWaalsContact O-N 3.16Å; K222-E225 HydrophobicContact CB-CB 4.44Å; K222-E225 HydrophobicContact CB-CG 4.33Å; K222-E225 WeakPolarHBondContact CD-OE1 3.47Å; K222-E225 IonicContact NZ-OE1 2.81Å; K222-E225 PolarHBondContact NZ-OE1 3.21Å; K222-E225 IonicContact NZ-OE2 3.26Å; K222-E225 PolarHBondContact O-N 2.65Å; K222-I226 WeakPolarHBondContact O-CG2 3.29Å; K222-I226 PolarHBondContact O-N 2.74Å; K222-I226 VanDerWaalsContact O-N 3.09Å
223	I	96.9	Very high	95.2	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.036	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.2	-176.2	-165.8	65.5	0	0	0	113	L170 V172 V194 E225 I226 S252 A256 K258 F259	L170-I223 HydrophobicContact CD1-CD1 4.15Å; L170-I223 HydrophobicContact CD2-CD1 4.18Å; V172-I223 HydrophobicContact CG1-CB 4.11Å; V172-I223 HydrophobicContact CG1-CD1 4.4Å; V172-I223 HydrophobicContact CG1-CG1 3.98Å; V172-I223 HydrophobicContact CG1-CG2 4.17Å; V172-I223 HydrophobicContact CG2-CD1 4.27Å; V172-I223 HydrophobicContact CG2-CG1 4.43Å; V194-I223 HydrophobicContact CB-CD1 4.13Å; V194-I223 HydrophobicContact CG1-CB 4.43Å; V194-I223 HydrophobicContact CG1-CD1 3.94Å; V194-I223 HydrophobicContact CG2-CD1 3.98Å; I223-E225 VanDerWaalsContact C-N 3.31Å; I223-I226 HydrophobicContact CD1-CD1 4.08Å; I223-I226 HydrophobicContact CD1-CG1 4.14Å; I223-S252 WeakPolarHBondContact CG2-O 3.38Å; I223-A256 HydrophobicContact CD1-CB 4.44Å; I223-A256 HydrophobicContact CG1-CB 3.87Å; I223-K258 WeakPolarHBondContact O-CE 3.4Å; I223-K258 PolarHBondContact O-NZ 2.55Å; I223-F259 HydrophobicContact CD1-CD2 4.1Å; I223-F259 HydrophobicContact CD1-CE2 3.61Å; I223-F259 HydrophobicContact CG1-CE2 4.05Å
224	E	95.8	Very high	95.4	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.103	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.5	171.2	-65.2	74.5	-167.7	0	0	112.5	I116 F117 R120 K222 S252 K258	I116-E224 HydrophobicContact CB-CG 4.13Å; F117-E224 HydrophobicContact CB-CB 4.5Å; F117-E224 HydrophobicContact CB-CG 4.06Å; R120-E224 IonicContact CZ-OE1 3.85Å; R120-E224 IonicContact NH2-OE1 3.32Å; R120-E224 PolarHBondContact NH2-OE1 3Å; K222-E224 PolarHBondContact O-N 3.01Å; K222-E224 VanDerWaalsContact O-N 3.16Å; E224-S252 WeakPolarHBondContact OE1-CA 3.49Å; E224-S252 WeakPolarHBondContact OE1-CB 3.45Å; E224-S252 PolarHBondContact OE1-OG 2.72Å; E224-K258 PolarHBondContact O-NZ 2.85Å; E224-K258 VanDerWaalsContact O-NZ 3.13Å
225	E	93.9	Very high	95.8	Very high	93 Å²	93	40 Å²	40	44%	0.435	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-30.4	-167.5	-69.5	163	-161.2	0	0	114.1	S115 K222 I223	S115-E225 VanDerWaalsContact CB-CG 3.45Å; S115-E225 WeakPolarHBondContact CB-OE1 3.1Å; S115-E225 PolarHBondContact OG-OE1 2.59Å; K222-E225 HydrophobicContact CB-CB 4.44Å; K222-E225 HydrophobicContact CB-CG 4.33Å; K222-E225 WeakPolarHBondContact CD-OE1 3.47Å; K222-E225 IonicContact NZ-OE1 2.81Å; K222-E225 PolarHBondContact NZ-OE1 3.21Å; K222-E225 IonicContact NZ-OE2 3.26Å; K222-E225 PolarHBondContact O-N 2.65Å; I223-E225 VanDerWaalsContact C-N 3.31Å
226	I	94.3	Very high	95.9	Very high	20 Å²	20	35.3 Å²	35.3	10%	0.103	21%	0.205	C	C	.	.			trans	-73	160.7	-176.5	65.2	100.2	0	0	0	113.6	V194 I219 K222 I223 L228 F259	V194-I226 HydrophobicContact CG1-CG1 4.12Å; V194-I226 HydrophobicContact CG2-CD1 3.9Å; V194-I226 HydrophobicContact CG2-CG1 4.3Å; I219-I226 HydrophobicContact CG2-CB 4.18Å; I219-I226 HydrophobicContact CG2-CG2 3.81Å; K222-I226 WeakPolarHBondContact O-CG2 3.29Å; K222-I226 PolarHBondContact O-N 2.74Å; K222-I226 VanDerWaalsContact O-N 3.09Å; I223-I226 HydrophobicContact CD1-CD1 4.08Å; I223-I226 HydrophobicContact CD1-CG1 4.14Å; I226-L228 HydrophobicContact CD1-CD2 3.59Å; I226-L228 HydrophobicContact CD1-CG 3.97Å; I226-F259 HydrophobicContact CD1-CE1 4.28Å; I226-F259 HydrophobicContact CD1-CE2 3.86Å; I226-F259 HydrophobicContact CD1-CZ 3.51Å; I226-F259 HydrophobicContact CG1-CZ 4.21Å; I226-F259 WeakPolarHBondContact O-CZ 3.15Å
227	T	94.2	Very high	95.9	Very high	118 Å²	118	35.1 Å²	35.1	72%	0.724	20%	0.204	S	C	*	.			trans	-122.1	134.1	169.2	54.1	0	0	0	0	110.2
228	L	94.1	Very high	95.9	Very high	22 Å²	22	34.2 Å²	34.2	12%	0.115	20%	0.197	C	C	.	.			trans	-94.2	147.8	168.5	-55.9	-176.2	0	0	0	109.8	L170 Y192 I219 I226 E230 V232 F259	L170-L228 HydrophobicContact CD1-CD1 4.13Å; L170-L228 HydrophobicContact CD2-CD1 4.3Å; Y192-L228 HydrophobicContact CD1-CD2 4.21Å; Y192-L228 HydrophobicContact CD2-CD1 4.11Å; Y192-L228 HydrophobicContact CD2-CD2 4.24Å; Y192-L228 HydrophobicContact CG-CD1 4.45Å; Y192-L228 HydrophobicContact CG-CD2 3.85Å; I219-L228 HydrophobicContact CD1-CD2 3.47Å; I219-L228 VanDerWaalsContact CD1-CD2 3.47Å; I226-L228 HydrophobicContact CD1-CD2 3.59Å; I226-L228 HydrophobicContact CD1-CG 3.97Å; L228-E230 VanDerWaalsContact C-N 3.33Å; L228-V232 HydrophobicContact CD1-CG1 3.93Å; L228-F259 HydrophobicContact CB-CD1 4.12Å; L228-F259 HydrophobicContact CB-CE1 4.26Å; L228-F259 HydrophobicContact CD1-CB 3.89Å; L228-F259 HydrophobicContact CD1-CD1 3.73Å; L228-F259 HydrophobicContact CD1-CD2 4.27Å; L228-F259 HydrophobicContact CD1-CE1 4.3Å; L228-F259 HydrophobicContact CD1-CG 3.71Å; L228-F259 HydrophobicContact CG-CD1 3.73Å; L228-F259 HydrophobicContact CG-CE1 3.82Å; L228-F259 HydrophobicContact CG-CG 4.16Å; L228-F259 HydrophobicContact CG-CZ 4.3Å
229	P	93.7	Very high	95.9	Very high	55 Å²	55	32.7 Å²	32.7	36%	0.357	19%	0.188	S	C	.	.	S	Bend	trans	-77.4	-18.3	179.7	33.8	-37.3	0	0	0	113	F18 Y192	F18-P229 HydrophobicContact CZ-CG 4.37Å; Y192-P229 HydrophobicContact CE1-CG 4.17Å; Y192-P229 WeakPolarHBondContact OH-CG 3.44Å
230	E	94.5	Very high	95.9	Very high	53 Å²	53	31.4 Å²	31.4	25%	0.248	18%	0.181	C	C	.	.	S	Bend	trans	-144.1	159.3	174.4	80.7	-142.3	70.2	0	0	110.8	V168 R190 Y192 L228	V168-E230 HydrophobicContact CG1-CG 4.43Å; R190-E230 IonicContact CZ-OE1 2.73Å; R190-E230 IonicContact CZ-OE2 2.82Å; R190-E230 IonicContact NH1-OE1 2.68Å; R190-E230 PolarHBondContact NH1-OE1 2.88Å; R190-E230 IonicContact NH1-OE2 3.84Å; R190-E230 PolarHBondContact NH1-OE2 2.97Å; R190-E230 VanDerWaalsContact NH1-OE2 3.13Å; R190-E230 IonicContact NH2-OE1 3.64Å; R190-E230 IonicContact NH2-OE2 3.39Å; R190-E230 PolarHBondContact NH2-OE2 3.45Å; Y192-E230 HydrophobicContact CE2-CG 4.27Å; Y192-E230 PolarHBondContact OH-OE1 2.69Å; L228-E230 VanDerWaalsContact C-N 3.33Å
231	P	95.1	Very high	95.8	Very high	66 Å²	66	27.5 Å²	27.5	43%	0.429	16%	0.155	S	C	.	.			trans	-70.4	160.7	172.3	30.1	-35.5	0	0	0	112.5	F259 A261	P231-F259 CarbonylContact C-O 3.56Å; P231-F259 VanDerWaalsContact CA-O 3.26Å; P231-F259 WeakPolarHBondContact CA-O 3.4Å; P231-F259 WeakPolarHBondContact CB-O 3.47Å; P231-A261 HydrophobicContact CB-CB 4.06Å; P231-A261 HydrophobicContact CG-CB 4.31Å
232	V	96.6	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-110.2	157.5	179.8	-55.3	0	0	0	0	112.6	V168 L170 Y192 L228 I235 F259 L260 A261	V168-V232 HydrophobicContact CG1-CB 4.5Å; V168-V232 HydrophobicContact CG1-CG1 3.95Å; L170-V232 HydrophobicContact CB-CB 4.32Å; L170-V232 HydrophobicContact CB-CG1 4Å; L170-V232 HydrophobicContact CB-CG2 3.85Å; Y192-V232 HydrophobicContact CD2-CG1 4.07Å; L228-V232 HydrophobicContact CD1-CG1 3.93Å; V232-I235 HydrophobicContact CG2-CG1 4.15Å; V232-F259 HydrophobicContact CG2-CB 4.32Å; V232-F259 PolarHBondContact N-O 2.68Å; V232-L260 HydrophobicContact CG2-CD2 4.37Å; V232-L260 CarbonylContact O-C 3.58Å; V232-L260 WeakPolarHBondContact O-CA 3.3Å; V232-A261 PolarHBondContact O-N 3.45Å
233	D	95.3	Very high	95.9	Very high	31 Å²	31	27.1 Å²	27.1	17%	0.166	15%	0.147	C	C	.	.	S	Bend	trans	-85	-38.2	173.1	-63.2	-91.6	0	0	0	112.4	K167 V168 L260 L264	K167-D233 WeakPolarHBondContact CA-OD2 3.01Å; K167-D233 HydrophobicContact CB-CB 3.88Å; K167-D233 HydrophobicContact CD-CB 4.14Å; K167-D233 HydrophobicContact CG-CB 4.15Å; K167-D233 IonicContact NZ-OD1 3.61Å; K167-D233 PolarHBondContact NZ-OD1 2.9Å; V168-D233 PolarHBondContact N-OD2 2.93Å; V168-D233 PolarHBondContact O-N 3.42Å; D233-L260 VanDerWaalsContact O-CD2 3.3Å; D233-L260 WeakPolarHBondContact O-CD2 3.43Å; D233-L264 HydrophobicContact CB-CD1 4.36Å
234	V	96.8	Very high	95.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143	-171.2	-175.2	0	0	0	0	110.5	D163 F164 V168 V169 L170 I236 I334	D163-V234 WeakPolarHBondContact O-CG2 3.43Å; F164-V234 HydrophobicContact CE1-CG1 4.01Å; F164-V234 HydrophobicContact CZ-CG1 4.07Å; V168-V234 PolarHBondContact O-N 3.45Å; V169-V234 WeakPolarHBondContact CA-O 3.24Å; V169-V234 HydrophobicContact CG1-CB 4.28Å; V169-V234 HydrophobicContact CG1-CG1 4.46Å; V169-V234 HydrophobicContact CG2-CB 4.26Å; L170-V234 PolarHBondContact N-O 3.49Å; V234-I236 HydrophobicContact CG1-CG2 3.99Å; V234-I334 WeakPolarHBondContact CA-O 3.33Å; V234-I334 HydrophobicContact CG1-CB 4.11Å; V234-I334 HydrophobicContact CG1-CG2 4.2Å; V234-I334 HydrophobicContact CG2-CB 4.14Å
235	I	98.4	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.4	166.4	-48.9	-175.9	0	0	0	108.9	L170 V172 V232 Y253 A256 L260 I334 M335 F336	L170-I235 HydrophobicContact CB-CG1 4.4Å; L170-I235 HydrophobicContact CB-CG2 4.42Å; L170-I235 HydrophobicContact CD2-CD1 4.23Å; L170-I235 HydrophobicContact CD2-CG1 4.28Å; L170-I235 HydrophobicContact CD2-CG2 4.23Å; L170-I235 HydrophobicContact CG-CG2 4.24Å; L170-I235 CarbonylContact O-C 3.57Å; L170-I235 WeakPolarHBondContact O-CA 3.48Å; V172-I235 HydrophobicContact CG2-CG2 3.57Å; V232-I235 HydrophobicContact CG2-CG1 4.15Å; I235-Y253 HydrophobicContact CB-CE2 4.4Å; I235-Y253 HydrophobicContact CG2-CD2 4.14Å; I235-Y253 HydrophobicContact CG2-CE2 3.73Å; I235-A256 HydrophobicContact CD1-CB 3.91Å; I235-A256 VanDerWaalsContact CD1-O 3.29Å; I235-A256 WeakPolarHBondContact CD1-O 3.46Å; I235-A256 HydrophobicContact CG2-CB 4.17Å; I235-L260 HydrophobicContact CD1-CD1 4.34Å; I235-L260 HydrophobicContact CD1-CD2 4.41Å; I235-L260 HydrophobicContact CD1-CG 3.89Å; I235-L260 HydrophobicContact CG1-CD2 4.01Å; I235-L260 HydrophobicContact CG1-CG 4.05Å; I235-I334 PolarHBondContact N-O 3.01Å; I235-M335 HydrophobicContact CB-CG 4.49Å; I235-M335 CarbonylContact O-C 3.48Å; I235-M335 WeakPolarHBondContact O-CA 3.5Å; I235-F336 PolarHBondContact O-N 2.98Å
236	I	98.6	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148	170.3	70.7	-171.9	0	0	0	109.2	F164 V169 L170 D171 V172 L179 A183 V234 F336	F164-I236 HydrophobicContact CE1-CG2 3.9Å; F164-I236 HydrophobicContact CZ-CG2 4.15Å; V169-I236 HydrophobicContact CG1-CD1 3.95Å; V169-I236 HydrophobicContact CG1-CG1 4.11Å; V169-I236 HydrophobicContact CG1-CG2 4.02Å; L170-I236 PolarHBondContact O-N 3.02Å; D171-I236 WeakPolarHBondContact CA-O 3.4Å; D171-I236 HydrophobicContact CB-CD1 4.02Å; D171-I236 HydrophobicContact CB-CG1 3.75Å; V172-I236 PolarHBondContact N-O 3.35Å; L179-I236 HydrophobicContact CB-CD1 3.72Å; L179-I236 HydrophobicContact CB-CG1 4.2Å; L179-I236 WeakPolarHBondContact O-CD1 3.47Å; A183-I236 HydrophobicContact CB-CD1 4.01Å; V234-I236 HydrophobicContact CG1-CG2 3.99Å; I236-F336 WeakPolarHBondContact CA-O 3.28Å; I236-F336 HydrophobicContact CG2-CB 4.18Å
237	S	98.5	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	161.2	173.7	-171.6	0	0	0	0	109.1	Y152 V172 P239 M249 F336 P337	Y152-S237 VanDerWaalsContact CE1-O 3.25Å; Y152-S237 WeakPolarHBondContact CE1-O 3.46Å; Y152-S237 PolarHBondContact OH-O 2.99Å; V172-S237 WeakPolarHBondContact O-CB 3.27Å; V172-S237 PolarHBondContact O-OG 2.95Å; S237-P239 VanDerWaalsContact C-CD 3.48Å; S237-P239 WeakPolarHBondContact O-CD 3.39Å; S237-M249 WeakPolarHBondContact OG-CE 3.46Å; S237-F336 PolarHBondContact N-O 3.01Å; S237-F336 VanDerWaalsContact N-O 3.16Å; S237-P337 WeakPolarHBondContact O-CD 3.26Å
238	E	98	Very high	96.2	Very high	24 Å²	24	18 Å²	18	11%	0.112	10%	0.096	C	C	.	.			trans	-116.1	92.4	158.7	-163.5	-66.6	95.1	0	0	107.8	R148 Y152 L179 M240 M249 W465	R148-E238 IonicContact CZ-OE2 3.15Å; R148-E238 IonicContact NE-OE2 2.73Å; R148-E238 IonicContact NH1-OE2 3.37Å; R148-E238 PolarHBondContact NH1-OE2 3.45Å; R148-E238 IonicContact NH2-OE2 2.73Å; R148-E238 PolarHBondContact NH2-OE2 3.06Å; Y152-E238 HydrophobicContact CE1-CB 4.48Å; Y152-E238 HydrophobicContact CE2-CB 4.3Å; Y152-E238 HydrophobicContact CE2-CG 3.72Å; Y152-E238 WeakPolarHBondContact OH-CA 3.3Å; L179-E238 HydrophobicContact CD1-CB 4.28Å; E238-M240 HydrophobicContact CG-CE 4.21Å; E238-M240 WeakPolarHBondContact OE1-CE 3.37Å; E238-M240 PolarHBondContact OE1-N 3.3Å; E238-M249 VanDerWaalsContact O-CE 3.27Å; E238-M249 WeakPolarHBondContact O-CE 3.47Å; E238-W465 HydrophobicContact CG-CZ2 4.37Å
239	P	97.2	Very high	96.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.013	10%	0.098	C	C	.	.			trans	-106.4	15.8	-173.6	41.5	-39.9	0	0	0	115	S237 M249 L250 Y253	S237-P239 VanDerWaalsContact C-CD 3.48Å; S237-P239 WeakPolarHBondContact O-CD 3.39Å; P239-M249 HydrophobicContact CB-CB 4.26Å; P239-M249 HydrophobicContact CB-CE 4.26Å; P239-M249 HydrophobicContact CB-CG 3.82Å; P239-L250 HydrophobicContact CB-CD2 3.96Å; P239-L250 HydrophobicContact CG-CD2 3.61Å; P239-Y253 HydrophobicContact CB-CG 4.34Å; P239-Y253 HydrophobicContact CG-CD1 3.89Å; P239-Y253 HydrophobicContact CG-CE1 4.4Å; P239-Y253 HydrophobicContact CG-CG 4.05Å
240	M	97.4	Very high	96.5	Very high	7 Å²	7	16 Å²	16	3%	0.034	8%	0.081	C	C	.	.			trans	-93.1	123.1	-171.8	-61.7	93	61.5	0	0	112.9	Y152 E238 L244 P337 F441 V443 L454 W465	Y152-M240 HydrophobicContact CE2-CE 4.27Å; E238-M240 HydrophobicContact CG-CE 4.21Å; E238-M240 WeakPolarHBondContact OE1-CE 3.37Å; E238-M240 PolarHBondContact OE1-N 3.3Å; M240-L244 HydrophobicContact CB-CD1 4.3Å; M240-L244 HydrophobicContact CG-CD1 3.66Å; M240-P337 HydrophobicContact SD-CG 4.05Å; M240-F441 HydrophobicContact CB-CE2 3.75Å; M240-F441 HydrophobicContact CB-CZ 3.72Å; M240-F441 HydrophobicContact CE-CE2 4.28Å; M240-F441 HydrophobicContact CG-CD2 4.46Å; M240-F441 HydrophobicContact CG-CE2 3.81Å; M240-F441 HydrophobicContact CG-CZ 4.32Å; M240-V443 HydrophobicContact CE-CG1 4.11Å; M240-V443 HydrophobicContact CE-CG2 3.78Å; M240-V443 HydrophobicContact CG-CG1 3.83Å; M240-V443 HydrophobicContact SD-CG1 3.82Å; M240-V443 HydrophobicContact SD-CG2 4.24Å; M240-L454 HydrophobicContact CE-CD2 4.2Å; M240-W465 HydrophobicContact CB-CZ2 4.25Å; M240-W465 HydrophobicContact CE-CH2 3.79Å; M240-W465 HydrophobicContact CE-CZ2 3.77Å; M240-W465 PolarHBondContact O-NE1 3.28Å
241	G	94.8	Very high	96.6	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.031	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-96.3	-176.1	168.6	0	0	0	0	0	113.1	L244 F441	G241-L244 PolarHBondContact N-O 3.46Å; G241-L244 VanDerWaalsContact N-O 3.16Å; G241-L244 CarbonylContact O-C 3.56Å; G241-L244 VanDerWaalsContact O-CA 3.29Å; G241-L244 WeakPolarHBondContact O-CA 3.46Å; G241-L244 PolarHBondContact O-N 3.24Å; G241-F441 WeakPolarHBondContact O-CE1 3.49Å
242	Y	93.4	Very high	96.7	Very high	43 Å²	43	11.2 Å²	11.2	17%	0.169	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	143.3	164.9	-55.4	-57.8	0	0	0	111.2	L244 N246 V390 W465 F524	Y242-L244 PolarHBondContact O-N 3.07Å; Y242-N246 VanDerWaalsContact O-CB 3.23Å; Y242-N246 WeakPolarHBondContact O-CB 3.42Å; Y242-N246 PolarHBondContact O-N 3.2Å; Y242-N246 VanDerWaalsContact O-N 3.14Å; Y242-V390 HydrophobicContact CD1-CG1 4.23Å; Y242-V390 HydrophobicContact CD1-CG2 4.38Å; Y242-V390 HydrophobicContact CE1-CG1 4.02Å; Y242-V390 HydrophobicContact CG-CG2 4.48Å; Y242-W465 WeakPolarHBondContact CD1-O 3.44Å; Y242-F524 HydrophobicContact CE1-CE1 4.28Å; Y242-F524 HydrophobicContact CE2-CE1 4.07Å; Y242-F524 AromaticContact CE2-CZ 3.83Å; Y242-F524 HydrophobicContact CE2-CZ 3.83Å; Y242-F524 AromaticContact CZ-CE1 3.66Å; Y242-F524 AromaticContact CZ-CZ 3.87Å; Y242-F524 WeakPolarHBondContact OH-CE1 3.42Å
243	M	96.5	Very high	96.8	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	34.1	-170	-63.6	175.4	54.7	0	0	113.5	Y245 F439 V468 M490 V500 L519	M243-Y245 WeakPolarHBondContact O-CD2 3.2Å; M243-Y245 PolarHBondContact O-N 3.41Å; M243-F439 HydrophobicContact CE-CD1 3.72Å; M243-F439 HydrophobicContact CE-CD2 4.23Å; M243-F439 HydrophobicContact CE-CE1 3.68Å; M243-F439 HydrophobicContact CE-CE2 4.22Å; M243-F439 HydrophobicContact CE-CG 4Å; M243-F439 HydrophobicContact CE-CZ 3.95Å; M243-F439 HydrophobicContact CG-CB 3.98Å; M243-F439 HydrophobicContact CG-CG 4.22Å; M243-F439 HydrophobicContact SD-CD2 4.41Å; M243-F439 HydrophobicContact SD-CG 4.39Å; M243-V468 HydrophobicContact CG-CB 3.67Å; M243-V468 HydrophobicContact CG-CG1 3.81Å; M243-V468 HydrophobicContact CG-CG2 3.82Å; M243-V468 HydrophobicContact SD-CB 4.38Å; M243-V468 HydrophobicContact SD-CG1 3.89Å; M243-M490 HydrophobicContact CE-SD 3.87Å; M243-V500 HydrophobicContact CE-CG1 4.23Å; M243-V500 HydrophobicContact CE-CG2 4.42Å; M243-L519 HydrophobicContact CB-CD2 4.26Å; M243-L519 HydrophobicContact CG-CD1 4.27Å; M243-L519 HydrophobicContact SD-CD1 3.79Å; M243-L519 HydrophobicContact SD-CD2 4.33Å
244	L	97.8	Very high	96.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	B	Isolated β-bridge	trans	65.4	-43.5	-173.6	178.2	63.9	0	0	0	115	M240 G241 Y242 L250 A340 L342 F441 V443	M240-L244 HydrophobicContact CB-CD1 4.3Å; M240-L244 HydrophobicContact CG-CD1 3.66Å; G241-L244 PolarHBondContact N-O 3.46Å; G241-L244 VanDerWaalsContact N-O 3.16Å; G241-L244 CarbonylContact O-C 3.56Å; G241-L244 VanDerWaalsContact O-CA 3.29Å; G241-L244 WeakPolarHBondContact O-CA 3.46Å; G241-L244 PolarHBondContact O-N 3.24Å; Y242-L244 PolarHBondContact O-N 3.07Å; L244-L250 HydrophobicContact CD1-CD1 4.25Å; L244-L250 HydrophobicContact CG-CD1 4.04Å; L244-A340 HydrophobicContact CD1-CB 3.85Å; L244-A340 HydrophobicContact CD2-CB 3.56Å; L244-A340 HydrophobicContact CG-CB 4.37Å; L244-L342 HydrophobicContact CB-CD1 4.29Å; L244-L342 HydrophobicContact CD2-CB 4.36Å; L244-F441 HydrophobicContact CB-CB 3.92Å; L244-F441 HydrophobicContact CB-CD1 3.94Å; L244-F441 HydrophobicContact CB-CG 3.88Å; L244-F441 HydrophobicContact CD1-CB 4.5Å; L244-F441 HydrophobicContact CD1-CD2 4.04Å; L244-F441 HydrophobicContact CD1-CE2 4.49Å; L244-F441 HydrophobicContact CD1-CG 4.2Å; L244-V443 HydrophobicContact CD1-CG1 4.3Å
245	Y	97.6	Very high	96.8	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-15.6	-165	-58.9	-80.5	0	0	0	115.9	M243 R248 L250 L342 H405 V407 L417 I420 M490 Y498	M243-Y245 WeakPolarHBondContact O-CD2 3.2Å; M243-Y245 PolarHBondContact O-N 3.41Å; Y245-R248 PolarHBondContact O-N 3.04Å; Y245-L250 HydrophobicContact CD1-CD1 3.62Å; Y245-L250 HydrophobicContact CE1-CD1 4.08Å; Y245-L250 HydrophobicContact CG-CD1 4.4Å; Y245-L342 HydrophobicContact CD2-CD2 4.47Å; Y245-L342 HydrophobicContact CE2-CD2 3.92Å; Y245-H405 PolarHBondContact OH-CD2 2.83Å; Y245-H405 PolarHBondContact OH-NE2 3.36Å; Y245-V407 HydrophobicContact CE1-CG2 4.32Å; Y245-V407 WeakPolarHBondContact OH-CG2 3.3Å; Y245-L417 HydrophobicContact CD1-CD2 4.17Å; Y245-L417 HydrophobicContact CE1-CD2 3.85Å; Y245-I420 HydrophobicContact CD1-CD1 3.43Å; Y245-I420 VanDerWaalsContact CD1-CD1 3.43Å; Y245-I420 HydrophobicContact CD2-CD1 3.95Å; Y245-I420 HydrophobicContact CE1-CD1 3.45Å; Y245-I420 VanDerWaalsContact CE1-CD1 3.45Å; Y245-I420 HydrophobicContact CE1-CG1 4.45Å; Y245-I420 HydrophobicContact CE2-CD1 3.98Å; Y245-I420 HydrophobicContact CG-CD1 3.7Å; Y245-M490 HydrophobicContact CD2-CE 3.56Å; Y245-M490 HydrophobicContact CD2-SD 4.38Å; Y245-M490 HydrophobicContact CE2-CE 3.59Å; Y245-Y498 WeakPolarHBondContact O-CE2 3.34Å
246	N	95.4	Very high	96.7	Very high	12 Å²	12	10.7 Å²	10.7	6%	0.064	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-54.7	158.9	-177.8	-166.4	30.3	0	0	0	112	Y242 R248 S497 L519	Y242-N246 VanDerWaalsContact O-CB 3.23Å; Y242-N246 WeakPolarHBondContact O-CB 3.42Å; Y242-N246 PolarHBondContact O-N 3.2Å; Y242-N246 VanDerWaalsContact O-N 3.14Å; N246-R248 PolarHBondContact O-N 2.94Å; N246-S497 WeakPolarHBondContact OD1-CB 3.17Å; N246-S497 PolarHBondContact OD1-OG 3.07Å; N246-L519 HydrophobicContact CB-CD2 3.93Å; N246-L519 HydrophobicContact CB-CG 4.04Å
247	E	93.8	Very high	96.6	Very high	43 Å²	43	12.4 Å²	12.4	20%	0.201	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	69.9	-16.1	-172.2	-47.6	-171.3	179.8	0	0	115.4	Y129 Y133 M249 Q496	Y129-E247 HydrophobicContact CE2-CB 3.76Å; Y129-E247 HydrophobicContact CE2-CG 3.92Å; Y129-E247 WeakPolarHBondContact CE2-OE2 3.49Å; Y129-E247 VanDerWaalsContact CZ-OE2 3.3Å; Y129-E247 PolarHBondContact OH-OE2 3.1Å; Y133-E247 WeakPolarHBondContact CE2-OE2 3.5Å; Y133-E247 VanDerWaalsContact OH-CD 3.27Å; Y133-E247 PolarHBondContact OH-OE1 3.08Å; Y133-E247 PolarHBondContact OH-OE2 2.85Å; E247-M249 PolarHBondContact O-N 2.82Å; E247-M249 VanDerWaalsContact O-N 3.16Å; E247-Q496 CarbonylContact C-O 3.47Å; E247-Q496 WeakPolarHBondContact CA-O 3.48Å; E247-Q496 PolarHBondContact N-O 3.39Å; E247-Q496 VanDerWaalsContact N-O 3.1Å
248	R	96.2	Very high	96.3	Very high	13 Å²	13	15.8 Å²	15.8	5%	0.049	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	60.2	14.2	-178.4	-60.5	177.3	62.1	170.9	6.2	114.6	R120 Y245 N246 L250 E251 A492 N493 Y498	R120-R248 PolarHBondContact O-NH1 3.47Å; Y245-R248 PolarHBondContact O-N 3.04Å; N246-R248 PolarHBondContact O-N 2.94Å; R248-L250 PolarHBondContact O-N 3.02Å; R248-E251 IonicContact CZ-OE1 2.99Å; R248-E251 IonicContact NE-OE1 3.72Å; R248-E251 PolarHBondContact NE-OE1 3.2Å; R248-E251 IonicContact NH2-OE1 3.91Å; R248-E251 PolarHBondContact NH2-OE1 3.22Å; R248-E251 IonicContact NH2-OE2 2.76Å; R248-E251 PolarHBondContact NH2-OE2 3.24Å; R248-E251 PolarHBondContact O-N 3.03Å; R248-A492 VanDerWaalsContact CZ-CB 3.44Å; R248-A492 PolarHBondContact NH1-O 3.14Å; R248-N493 PolarHBondContact NH1-O 2.58Å; R248-Y498 HydrophobicContact CG-CD2 4.39Å; R248-Y498 HydrophobicContact CG-CE2 3.63Å
249	M	96.9	Very high	96.2	Very high	32 Å²	32	15.8 Å²	15.8	16%	0.158	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-25.9	-178.8	-175.3	164.4	157.8	0	0	113.1	V172 S237 E238 P239 E247 E251 S252 Y253	V172-M249 WeakPolarHBondContact O-CE 3.46Å; S237-M249 WeakPolarHBondContact OG-CE 3.46Å; E238-M249 VanDerWaalsContact O-CE 3.27Å; E238-M249 WeakPolarHBondContact O-CE 3.47Å; P239-M249 HydrophobicContact CB-CB 4.26Å; P239-M249 HydrophobicContact CB-CE 4.26Å; P239-M249 HydrophobicContact CB-CG 3.82Å; E247-M249 PolarHBondContact O-N 2.82Å; E247-M249 VanDerWaalsContact O-N 3.16Å; M249-E251 PolarHBondContact O-N 3.27Å; M249-S252 WeakPolarHBondContact O-CB 3.43Å; M249-S252 PolarHBondContact O-N 3Å; M249-Y253 PolarHBondContact O-N 3.46Å
250	L	97.8	Very high	96.1	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-53	-33.5	169.9	-71.3	177.2	0	0	0	113.8	P239 L244 Y245 R248 Y253 V254 F409 L417	P239-L250 HydrophobicContact CB-CD2 3.96Å; P239-L250 HydrophobicContact CG-CD2 3.61Å; L244-L250 HydrophobicContact CD1-CD1 4.25Å; L244-L250 HydrophobicContact CG-CD1 4.04Å; Y245-L250 HydrophobicContact CD1-CD1 3.62Å; Y245-L250 HydrophobicContact CE1-CD1 4.08Å; Y245-L250 HydrophobicContact CG-CD1 4.4Å; R248-L250 PolarHBondContact O-N 3.02Å; L250-Y253 PolarHBondContact O-N 3.01Å; L250-V254 VanDerWaalsContact O-CB 3.3Å; L250-V254 WeakPolarHBondContact O-CB 3.45Å; L250-V254 VanDerWaalsContact O-CG2 3.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.27Å; L250-V254 PolarHBondContact O-N 3.13Å; L250-F409 HydrophobicContact CD1-CE1 4.25Å; L250-F409 HydrophobicContact CD2-CD1 4.27Å; L250-F409 HydrophobicContact CD2-CE1 3.53Å; L250-F409 HydrophobicContact CD2-CZ 3.66Å; L250-F409 HydrophobicContact CG-CE1 4.45Å; L250-L417 HydrophobicContact CB-CD1 3.88Å
251	E	97.1	Very high	95.8	Very high	7 Å²	7	16 Å²	16	3%	0.033	8%	0.075	C	C	.	.	H	α-helix	trans	-68.3	-42.7	176.3	-65	177.4	-139.7	0	0	111.6	R120 R248 M249 Y253 V254 H255 L417	R120-E251 WeakPolarHBondContact CD-OE2 3.32Å; R120-E251 IonicContact CZ-OE2 2.74Å; R120-E251 IonicContact NE-OE2 3.2Å; R120-E251 PolarHBondContact NE-OE2 3.1Å; R120-E251 VanDerWaalsContact NH1-CB 3.26Å; R120-E251 IonicContact NH1-OE2 2.92Å; R120-E251 PolarHBondContact NH1-OE2 2.93Å; R248-E251 IonicContact CZ-OE1 2.99Å; R248-E251 IonicContact NE-OE1 3.72Å; R248-E251 PolarHBondContact NE-OE1 3.2Å; R248-E251 IonicContact NH2-OE1 3.91Å; R248-E251 PolarHBondContact NH2-OE1 3.22Å; R248-E251 IonicContact NH2-OE2 2.76Å; R248-E251 PolarHBondContact NH2-OE2 3.24Å; R248-E251 PolarHBondContact O-N 3.03Å; M249-E251 PolarHBondContact O-N 3.27Å; E251-Y253 VanDerWaalsContact C-N 3.31Å; E251-Y253 PolarHBondContact O-N 3Å; E251-V254 PolarHBondContact O-N 2.99Å; E251-H255 WeakPolarHBondContact O-CB 3.48Å; E251-H255 PolarHBondContact O-N 3.4Å; E251-L417 HydrophobicContact CB-CD1 4.45Å; E251-L417 HydrophobicContact CG-CB 3.89Å; E251-L417 HydrophobicContact CG-CD1 3.92Å
252	S	97.2	Very high	95.4	Very high	13 Å²	13	20.5 Å²	20.5	9%	0.091	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-37.8	174	-70.6	0	0	0	0	111.9	R120 I223 E224 M249 H255 A256	R120-S252 PolarHBondContact NH2-OG 2.66Å; I223-S252 WeakPolarHBondContact CG2-O 3.38Å; E224-S252 WeakPolarHBondContact OE1-CA 3.49Å; E224-S252 WeakPolarHBondContact OE1-CB 3.45Å; E224-S252 PolarHBondContact OE1-OG 2.72Å; M249-S252 WeakPolarHBondContact O-CB 3.43Å; M249-S252 PolarHBondContact O-N 3Å; S252-H255 WeakPolarHBondContact O-CB 3.21Å; S252-H255 PolarHBondContact O-N 3.06Å; S252-A256 PolarHBondContact O-N 2.93Å; S252-A256 VanDerWaalsContact O-N 3.07Å
253	Y	98	Very high	94.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-45.4	174.6	-176.9	-126.1	0	0	0	112.5	I235 P239 M249 L250 E251 H255 A256 M335 F336 P337 F409	I235-Y253 HydrophobicContact CB-CE2 4.4Å; I235-Y253 HydrophobicContact CG2-CD2 4.14Å; I235-Y253 HydrophobicContact CG2-CE2 3.73Å; P239-Y253 HydrophobicContact CB-CG 4.34Å; P239-Y253 HydrophobicContact CG-CD1 3.89Å; P239-Y253 HydrophobicContact CG-CE1 4.4Å; P239-Y253 HydrophobicContact CG-CG 4.05Å; M249-Y253 PolarHBondContact O-N 3.46Å; L250-Y253 PolarHBondContact O-N 3.01Å; E251-Y253 VanDerWaalsContact C-N 3.31Å; E251-Y253 PolarHBondContact O-N 3Å; Y253-H255 VanDerWaalsContact C-N 3.29Å; Y253-H255 PolarHBondContact O-N 2.88Å; Y253-A256 VanDerWaalsContact O-CB 3.28Å; Y253-A256 WeakPolarHBondContact O-CB 3.41Å; Y253-A256 PolarHBondContact O-N 3.25Å; Y253-A256 VanDerWaalsContact O-N 3.17Å; Y253-M335 HydrophobicContact CD1-CE 3.94Å; Y253-M335 HydrophobicContact CD2-CE 4.34Å; Y253-M335 HydrophobicContact CE1-CE 3.6Å; Y253-M335 HydrophobicContact CE2-CE 4.02Å; Y253-M335 HydrophobicContact CG-CE 4.3Å; Y253-M335 VanDerWaalsContact OH-C 3.31Å; Y253-M335 WeakPolarHBondContact OH-CB 3.47Å; Y253-F336 PolarHBondContact OH-N 2.66Å; Y253-F336 PolarHBondContact OH-O 3.26Å; Y253-P337 HydrophobicContact CE1-CG 4.41Å; Y253-P337 WeakPolarHBondContact CE1-O 3.38Å; Y253-P337 PolarHBondContact OH-O 3Å; Y253-F409 HydrophobicContact CD1-CB 4.36Å; Y253-F409 HydrophobicContact CD1-CG 4.3Å; Y253-F409 HydrophobicContact CE1-CB 3.99Å; Y253-F409 HydrophobicContact CE1-CD2 4.01Å; Y253-F409 HydrophobicContact CE1-CG 4.05Å
254	V	96.4	Very high	94.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-30.4	176.1	167.4	0	0	0	0	112	L250 E251 R257 F409 V412 E414 L417	L250-V254 VanDerWaalsContact O-CB 3.3Å; L250-V254 WeakPolarHBondContact O-CB 3.45Å; L250-V254 VanDerWaalsContact O-CG2 3.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.27Å; L250-V254 PolarHBondContact O-N 3.13Å; E251-V254 PolarHBondContact O-N 2.99Å; V254-R257 PolarHBondContact O-NE 2.72Å; V254-F409 HydrophobicContact CG2-CD1 4.3Å; V254-V412 HydrophobicContact CG1-CG1 4.15Å; V254-V412 HydrophobicContact CG2-CG1 3.66Å; V254-E414 HydrophobicContact CG1-CG 4.07Å; V254-L417 HydrophobicContact CB-CD1 4.22Å; V254-L417 HydrophobicContact CG2-CD1 3.89Å
255	H	96	Very high	93.5	Very high	20 Å²	20	30.2 Å²	30.2	9%	0.093	15%	0.145	C	C	.	.	H	α-helix	trans	-68.5	-35	172.3	-168.8	76.6	0	0	0	112.6	I116 E251 S252 Y253 R257 K258 E414	I116-H255 VanDerWaalsContact CD1-CE1 3.49Å; I116-H255 WeakPolarHBondContact CD1-CE1 3.41Å; E251-H255 WeakPolarHBondContact O-CB 3.48Å; E251-H255 PolarHBondContact O-N 3.4Å; S252-H255 WeakPolarHBondContact O-CB 3.21Å; S252-H255 PolarHBondContact O-N 3.06Å; Y253-H255 VanDerWaalsContact C-N 3.29Å; Y253-H255 PolarHBondContact O-N 2.88Å; H255-R257 PolarHBondContact O-N 3.4Å; H255-R257 VanDerWaalsContact O-N 3.11Å; H255-K258 PolarHBondContact CD2-NZ 2.9Å; H255-K258 WeakPolarHBondContact NE2-CD 3.27Å; H255-K258 PolarHBondContact NE2-NZ 3.23Å; H255-K258 WeakPolarHBondContact O-CG 3.43Å; H255-K258 PolarHBondContact O-N 3.46Å; H255-E414 IonicContact CE1-OE1 2.76Å; H255-E414 IonicContact CG-OE1 3.55Å; H255-E414 IonicContact ND1-OE1 3.58Å; H255-E414 PolarHBondContact ND1-OE1 3.25Å; H255-E414 IonicContact ND1-OE2 2.69Å
256	A	97	Very high	92.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-23.2	-178.7	0	0	0	0	0	113.6	L170 V172 I223 I235 S252 Y253 K258 F259	L170-A256 HydrophobicContact CD2-CB 4.09Å; V172-A256 HydrophobicContact CG2-CB 3.68Å; I223-A256 HydrophobicContact CD1-CB 4.44Å; I223-A256 HydrophobicContact CG1-CB 3.87Å; I235-A256 HydrophobicContact CD1-CB 3.91Å; I235-A256 VanDerWaalsContact CD1-O 3.29Å; I235-A256 WeakPolarHBondContact CD1-O 3.46Å; I235-A256 HydrophobicContact CG2-CB 4.17Å; S252-A256 PolarHBondContact O-N 2.93Å; S252-A256 VanDerWaalsContact O-N 3.07Å; Y253-A256 VanDerWaalsContact O-CB 3.28Å; Y253-A256 WeakPolarHBondContact O-CB 3.41Å; Y253-A256 PolarHBondContact O-N 3.25Å; Y253-A256 VanDerWaalsContact O-N 3.17Å; A256-K258 PolarHBondContact O-N 3.07Å; A256-F259 WeakPolarHBondContact O-CB 3.14Å; A256-F259 WeakPolarHBondContact O-CD2 3.33Å; A256-F259 PolarHBondContact O-N 2.82Å
257	R	95	Very high	90.8	Very high	36 Å²	36	37.8 Å²	37.8	14%	0.136	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-50	-23.3	172.9	-69.3	-176.5	-59.5	176.7	-0.6	114.1	V254 H255 F259 L260 M335 F409 R410 V412	V254-R257 PolarHBondContact O-NE 2.72Å; H255-R257 PolarHBondContact O-N 3.4Å; H255-R257 VanDerWaalsContact O-N 3.11Å; R257-F259 PolarHBondContact O-N 3.17Å; R257-F259 VanDerWaalsContact O-N 3.07Å; R257-L260 HydrophobicContact CG-CD1 4.42Å; R257-L260 PolarHBondContact O-N 2.97Å; R257-M335 HydrophobicContact CG-CE 3.8Å; R257-M335 HydrophobicContact CG-SD 3.42Å; R257-M335 WeakPolarHBondContact CG-SD 3.35Å; R257-F409 WeakPolarHBondContact CD-O 3.46Å; R257-R410 PolarHBondContact NH1-O 3.26Å; R257-V412 PolarHBondContact NH1-O 3.31Å; R257-V412 PolarHBondContact NH2-O 2.92Å
258	K	93.7	Very high	89.3	Confident	71 Å²	71	39.2 Å²	39.2	31%	0.309	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-57	-18.1	172.2	77.1	-173.6	179.4	-175	0	113.9	I223 E224 H255 A256 R265	I223-K258 WeakPolarHBondContact O-CE 3.4Å; I223-K258 PolarHBondContact O-NZ 2.55Å; E224-K258 PolarHBondContact O-NZ 2.85Å; E224-K258 VanDerWaalsContact O-NZ 3.13Å; H255-K258 PolarHBondContact CD2-NZ 2.9Å; H255-K258 WeakPolarHBondContact NE2-CD 3.27Å; H255-K258 PolarHBondContact NE2-NZ 3.23Å; H255-K258 WeakPolarHBondContact O-CG 3.43Å; H255-K258 PolarHBondContact O-N 3.46Å; A256-K258 PolarHBondContact O-N 3.07Å; K258-R265 VanDerWaalsContact O-CZ 3.29Å; K258-R265 PolarHBondContact O-NH1 3.03Å; K258-R265 PolarHBondContact O-NH2 3.1Å
259	F	95.8	Very high	87.3	Confident	24 Å²	24	45.9 Å²	45.9	11%	0.105	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-96.7	-16.5	179.2	-64	-62.5	0	0	0	115	L170 I223 I226 L228 P231 V232 A256 R257	L170-F259 HydrophobicContact CD2-CB 3.91Å; L170-F259 HydrophobicContact CD2-CD2 3.64Å; L170-F259 HydrophobicContact CD2-CG 4.13Å; I223-F259 HydrophobicContact CD1-CD2 4.1Å; I223-F259 HydrophobicContact CD1-CE2 3.61Å; I223-F259 HydrophobicContact CG1-CE2 4.05Å; I226-F259 HydrophobicContact CD1-CE1 4.28Å; I226-F259 HydrophobicContact CD1-CE2 3.86Å; I226-F259 HydrophobicContact CD1-CZ 3.51Å; I226-F259 HydrophobicContact CG1-CZ 4.21Å; I226-F259 WeakPolarHBondContact O-CZ 3.15Å; L228-F259 HydrophobicContact CB-CD1 4.12Å; L228-F259 HydrophobicContact CB-CE1 4.26Å; L228-F259 HydrophobicContact CD1-CB 3.89Å; L228-F259 HydrophobicContact CD1-CD1 3.73Å; L228-F259 HydrophobicContact CD1-CD2 4.27Å; L228-F259 HydrophobicContact CD1-CE1 4.3Å; L228-F259 HydrophobicContact CD1-CG 3.71Å; L228-F259 HydrophobicContact CG-CD1 3.73Å; L228-F259 HydrophobicContact CG-CE1 3.82Å; L228-F259 HydrophobicContact CG-CG 4.16Å; L228-F259 HydrophobicContact CG-CZ 4.3Å; P231-F259 CarbonylContact C-O 3.56Å; P231-F259 VanDerWaalsContact CA-O 3.26Å; P231-F259 WeakPolarHBondContact CA-O 3.4Å; P231-F259 WeakPolarHBondContact CB-O 3.47Å; V232-F259 HydrophobicContact CG2-CB 4.32Å; V232-F259 PolarHBondContact N-O 2.68Å; A256-F259 WeakPolarHBondContact O-CB 3.14Å; A256-F259 WeakPolarHBondContact O-CD2 3.33Å; A256-F259 PolarHBondContact O-N 2.82Å; R257-F259 PolarHBondContact O-N 3.17Å; R257-F259 VanDerWaalsContact O-N 3.07Å
260	L	94.8	Very high	84.7	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.031	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-56.5	146.4	173.7	-78.6	169.5	0	0	0	110.6	V232 D233 I235 R257 R265	V232-L260 HydrophobicContact CG2-CD2 4.37Å; V232-L260 CarbonylContact O-C 3.58Å; V232-L260 WeakPolarHBondContact O-CA 3.3Å; D233-L260 VanDerWaalsContact O-CD2 3.3Å; D233-L260 WeakPolarHBondContact O-CD2 3.43Å; I235-L260 HydrophobicContact CD1-CD1 4.34Å; I235-L260 HydrophobicContact CD1-CD2 4.41Å; I235-L260 HydrophobicContact CD1-CG 3.89Å; I235-L260 HydrophobicContact CG1-CD2 4.01Å; I235-L260 HydrophobicContact CG1-CG 4.05Å; R257-L260 HydrophobicContact CG-CD1 4.42Å; R257-L260 PolarHBondContact O-N 2.97Å; L260-R265 HydrophobicContact CB-CG 4.07Å; L260-R265 PolarHBondContact O-NE 3.07Å; L260-R265 PolarHBondContact O-NH2 2.73Å
261	A	91.7	Very high	82.1	Confident	9 Å²	9	60.5 Å²	60.5	7%	0.074	29%	0.293	C	S	.	.			trans	-56.3	141.4	175.7	0	0	0	0	0	111.1	P231 V232 H263 L264	P231-A261 HydrophobicContact CB-CB 4.06Å; P231-A261 HydrophobicContact CG-CB 4.31Å; V232-A261 PolarHBondContact O-N 3.45Å; A261-H263 PolarHBondContact O-N 2.64Å; A261-L264 HydrophobicContact CB-CD1 3.83Å; A261-L264 HydrophobicContact CB-CG 4.05Å; A261-L264 WeakPolarHBondContact O-CB 3.31Å; A261-L264 PolarHBondContact O-N 2.79Å
262	P	85.1	Confident	79	Confident	96 Å²	96	68.5 Å²	68.5	62%	0.623	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-56.9	-31.2	-169.7	-29.7	36.5	0	0	0	115.2	L264	P262-L264 VanDerWaalsContact C-N 3.27Å; P262-L264 PolarHBondContact O-N 3.33Å
263	H	83.9	Confident	76.2	Confident	115 Å²	115	72.3 Å²	72.3	53%	0.532	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-76.4	-10.8	177.6	64.9	-93.4	0	0	0	114.1	A261 P330	A261-H263 PolarHBondContact O-N 2.64Å; H263-P330 HydrophobicContact CB-CB 4.42Å; H263-P330 HydrophobicContact CB-CG 4.28Å; H263-P330 WeakPolarHBondContact O-CG 3.43Å
264	L	83.5	Confident	73.2	Confident	17 Å²	17	81.3 Å²	81.3	9%	0.089	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-97.6	-8.5	179.8	-60.4	-179.5	0	0	0	112.8	D233 A261 P262 Q266 C331 G333	D233-L264 HydrophobicContact CB-CD1 4.36Å; A261-L264 HydrophobicContact CB-CD1 3.83Å; A261-L264 HydrophobicContact CB-CG 4.05Å; A261-L264 WeakPolarHBondContact O-CB 3.31Å; A261-L264 PolarHBondContact O-N 2.79Å; P262-L264 VanDerWaalsContact C-N 3.27Å; P262-L264 PolarHBondContact O-N 3.33Å; L264-Q266 PolarHBondContact O-N 2.79Å; L264-C331 WeakPolarHBondContact CD2-O 3.32Å; L264-G333 PolarHBondContact O-N 3.43Å
265	R	80.8	Confident	70.2	Confident	117 Å²	117	91.2 Å²	91.2	44%	0.442	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-81.9	118.8	-174	-61.4	177.5	-165.6	-165.5	-1	110.7	K258 L260	K258-R265 VanDerWaalsContact O-CZ 3.29Å; K258-R265 PolarHBondContact O-NH1 3.03Å; K258-R265 PolarHBondContact O-NH2 3.1Å; L260-R265 HydrophobicContact CB-CG 4.07Å; L260-R265 PolarHBondContact O-NE 3.07Å; L260-R265 PolarHBondContact O-NH2 2.73Å
266	Q	71.3	Confident	67.4	Low	60 Å²	60	96.9 Å²	96.9	28%	0.28	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-68	147.3	169	-65.3	-167.9	8.8	0	0	111	L264 V268 P332 T411	L264-Q266 PolarHBondContact O-N 2.79Å; Q266-V268 PolarHBondContact O-N 2.64Å; Q266-P332 HydrophobicContact CG-CB 3.71Å; Q266-P332 VanDerWaalsContact NE2-CB 3.29Å; Q266-T411 HydrophobicContact CB-CG2 4.45Å
267	P	65.7	Low	64.5	Low	113 Å²	113	106.5 Å²	106.5	73%	0.734	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-67.7	125.6	172.9	28.1	-33.5	0	0	0	110.6	K269	P267-K269 PolarHBondContact O-N 2.89Å
268	V	61.1	Low	61.8	Low	72 Å²	72	110.1 Å²	110.1	44%	0.436	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-62.7	127.5	174.3	178.1	0	0	0	0	109.5	Q266 K270	Q266-V268 PolarHBondContact O-N 2.64Å; V268-K270 PolarHBondContact O-N 2.93Å
269	K	53.9	Low	59	Low	153 Å²	153	116.1 Å²	116.1	67%	0.665	52%	0.523	S	S	*	.			trans	-64.6	104	176.9	-70.8	-176.8	179.8	178.6	0	109.9	P267 K271	P267-K269 PolarHBondContact O-N 2.89Å; K269-K271 PolarHBondContact O-N 3.17Å
270	K	43.5	Very low	56.2	Low	196 Å²	196	122.1 Å²	122.1	85%	0.852	56%	0.556	S	S	*	*			trans	-77.5	105.7	166.9	-69.3	-175.3	179.5	-179.5	0	108.5	V268 Q272	V268-K270 PolarHBondContact O-N 2.93Å; K270-Q272 PolarHBondContact O-N 3.11Å
271	K	42.1	Very low	53.4	Low	144 Å²	144	128.7 Å²	128.7	63%	0.626	59%	0.591	S	S	*	*			trans	-48.4	121.5	172.2	-97	171.3	172.4	146.2	0	110.5	K269 N273 E416	K269-K271 PolarHBondContact O-N 3.17Å; K271-N273 VanDerWaalsContact CB-OD1 3.22Å; K271-N273 WeakPolarHBondContact CB-OD1 3.22Å; K271-N273 WeakPolarHBondContact CG-OD1 3.1Å; K271-N273 PolarHBondContact O-N 3.41Å; K271-E416 VanDerWaalsContact CE-OE1 3.3Å; K271-E416 WeakPolarHBondContact CE-OE1 3.43Å; K271-E416 IonicContact NZ-OE1 3.05Å; K271-E416 PolarHBondContact NZ-OE1 3.42Å
272	Q	33.7	Very low	50.8	Low	176 Å²	176	136.2 Å²	136.2	82%	0.822	63%	0.625	S	S	*	*			trans	-89.7	16.4	-171.8	-151.9	166.6	1.7	0	0	112.7	K270 R274	K270-Q272 PolarHBondContact O-N 3.11Å; Q272-R274 PolarHBondContact O-N 3.07Å
273	N	37.9	Very low	48.5	Very low	93 Å²	93	139.7 Å²	139.7	50%	0.497	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	27.2	-165.8	-59.9	56.1	0	0	0	115.9	K271	K271-N273 VanDerWaalsContact CB-OD1 3.22Å; K271-N273 WeakPolarHBondContact CB-OD1 3.22Å; K271-N273 WeakPolarHBondContact CG-OD1 3.1Å; K271-N273 PolarHBondContact O-N 3.41Å
274	R	34	Very low	46	Very low	188 Å²	188	141.4 Å²	141.4	71%	0.709	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-27.4	173.2	-170.4	165.9	180	173	0.9	113.3	Q272 E278	Q272-R274 PolarHBondContact O-N 3.07Å; R274-E278 WeakPolarHBondContact CG-OE1 3.42Å; R274-E278 IonicContact CZ-OE1 3.66Å; R274-E278 IonicContact NE-OE1 3.87Å; R274-E278 PolarHBondContact NE-OE1 2.89Å; R274-E278 IonicContact NH2-OE1 2.62Å; R274-E278 VanDerWaalsContact O-CG 3.3Å; R274-E278 WeakPolarHBondContact O-CG 3.45Å
275	R	34.6	Very low	43.8	Very low	210 Å²	210	149.6 Å²	149.6	79%	0.792	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-7.8	-174.4	-77.2	-174.8	169.4	-179.6	-4.5	116.5
276	E	37.4	Very low	41.6	Very low	139 Å²	139	149.3 Å²	149.3	65%	0.65	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	-29.3	178.1	-68.6	170.7	141.7	0	0	112.5
277	R	35.2	Very low	39.9	Very low	202 Å²	202	151.5 Å²	151.5	76%	0.762	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-71.9	-37.4	170	-78.1	-173.2	170.1	-176.3	-3.7	112.1	R279 L280	R277-R279 PolarHBondContact O-N 2.93Å; R277-L280 PolarHBondContact O-N 3.18Å
278	E	37.5	Very low	38.3	Very low	112 Å²	112	157.2 Å²	157.2	52%	0.523	73%	0.733	S	S	.	*	G	3₁₀ helix	trans	-72.3	26.3	173.1	-62.3	170.2	-178.4	0	0	112.6	R274	R274-E278 WeakPolarHBondContact CG-OE1 3.42Å; R274-E278 IonicContact CZ-OE1 3.66Å; R274-E278 IonicContact NE-OE1 3.87Å; R274-E278 PolarHBondContact NE-OE1 2.89Å; R274-E278 IonicContact NH2-OE1 2.62Å; R274-E278 VanDerWaalsContact O-CG 3.3Å; R274-E278 WeakPolarHBondContact O-CG 3.45Å
279	R	35.6	Very low	36.9	Very low	197 Å²	197	159.4 Å²	159.4	74%	0.743	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-142.1	-0.8	-179.4	-91.5	-168.2	176.7	-167.7	-1.8	115.5	R277	R277-R279 PolarHBondContact O-N 2.93Å
280	L	38	Very low	35.9	Very low	150 Å²	150	160.3 Å²	160.3	79%	0.785	75%	0.75	S	S	*	*	S	Bend	trans	-116.3	1	179.7	-71.5	167.2	0	0	0	112.9	R277	R277-L280 PolarHBondContact O-N 3.18Å
281	D	35.9	Very low	35.3	Very low	143 Å²	143	157.5 Å²	157.5	77%	0.765	74%	0.74	S	S	*	*	S	Bend	trans	-114.8	13.9	-173.1	-63.5	-29.7	0	0	0	113.2
282	E	37.3	Very low	34.8	Very low	168 Å²	168	157.4 Å²	157.4	79%	0.785	75%	0.745	S	S	*	*	S	Bend	trans	-111.2	-13.6	-177.7	-68.6	-164.3	135.6	0	0	115.6
283	D	35.5	Very low	34.6	Very low	169 Å²	169	153.4 Å²	153.4	90%	0.904	74%	0.736	S	S	*	*	S	Bend	trans	-101.4	26.8	-170.8	-84.3	-41.4	0	0	0	115.5
284	D	32	Very low	34.4	Very low	151 Å²	151	155.3 Å²	155.3	81%	0.807	75%	0.747	S	S	*	*			trans	-132.4	80.4	175	-165.2	0.4	0	0	0	113.4
285	Q	37.1	Very low	34.3	Very low	189 Å²	189	151.2 Å²	151.2	88%	0.883	75%	0.747	S	S	*	*			trans	-136.9	72.9	167.3	-71.1	-161.3	17	0	0	114.2
286	S	33.6	Very low	34.3	Very low	110 Å²	110	148.7 Å²	148.7	77%	0.769	74%	0.744	S	S	*	*			trans	73	173.1	135.7	-120.8	0	0	0	0	117.5
287	P	36.2	Very low	34.2	Very low	106 Å²	106	149 Å²	149	69%	0.688	75%	0.745	S	S	*	*				-134.6	162.4	-107.5	37.9	-18.9	0	0	0	115.7
288	Y	32.6	Very low	34.1	Very low	234 Å²	234	143.6 Å²	143.6	92%	0.918	74%	0.738	S	S	*	*			trans	-148.2	148.9	152.1	-137.5	-94.7	0	0	0	113.4
289	V	31.2	Very low	33.7	Very low	117 Å²	117	145.5 Å²	145.5	71%	0.709	75%	0.752	S	S	*	*			trans	-119.4	123.2	-176	175.4	0	0	0	0	108.9
290	K	33	Very low	33.6	Very low	173 Å²	173	144.7 Å²	144.7	75%	0.752	76%	0.757	S	S	*	*			trans	177.6	125.7	130.3	-100.6	-177.8	173.8	-162.3	0	115.9
291	Q	31.6	Very low	33.3	Very low	137 Å²	137	144 Å²	144	64%	0.64	76%	0.758	S	S	*	*				59.5	110.3	128.9	-67.8	-179.7	-84.1	0	0	122.1
292	L	31.7	Very low	33.1	Very low	142 Å²	142	144.9 Å²	144.9	74%	0.743	76%	0.762	S	S	*	*				86.3	122.5	116.9	-68.2	171.5	0	0	0	121.9
293	S	29.2	Very low	32.6	Very low	91 Å²	91	142.6 Å²	142.6	64%	0.636	76%	0.76	S	S	*	*			trans	88.1	149.3	130.5	80.1	0	0	0	0	121.4
294	D	33.7	Very low	32.4	Very low	134 Å²	134	141.8 Å²	141.8	72%	0.717	76%	0.755	S	S	*	*			trans	70.7	99.9	161.7	-43.5	-42.4	0	0	0	114.9
295	S	30.6	Very low	32.4	Very low	102 Å²	102	143.4 Å²	143.4	71%	0.713	76%	0.758	S	S	*	*				64.9	130.6	78.6	76.5	0	0	0	0	112.1
296	E	36.3	Very low	32.3	Very low	156 Å²	156	142.6 Å²	142.6	73%	0.729	76%	0.759	S	S	*	*			cis	-174.1	174.9	46	-137.8	175	-143.3	0	0	110.7
297	H	34.2	Very low	31.9	Very low	147 Å²	147	144.6 Å²	144.6	68%	0.681	76%	0.761	S	S	*	*			trans	62	114.8	156.2	-76.7	100.6	0	0	0	119.5
298	S	33.9	Very low	31.6	Very low	88 Å²	88	144.7 Å²	144.7	62%	0.615	76%	0.763	S	S	*	*				71	143.1	84.3	78.8	0	0	0	0	114.4
299	D	29.3	Very low	31.6	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	76%	0.755	S	S	*	*			cis	-166.3	-159.1	-6	-112.6	-40.1	0	0	0	106.7
300	E	33.6	Very low	31.4	Very low	181 Å²	181	143.3 Å²	143.3	85%	0.846	76%	0.763	S	S	*	*			trans	72.5	97.9	176.4	-54.5	-169.4	151.3	0	0	114.5
301	V	31.3	Very low	31.5	Very low	135 Å²	135	141.6 Å²	141.6	82%	0.818	76%	0.76	S	S	*	*				68.8	102.5	69	-178.6	0	0	0	0	113.3
302	L	32.3	Very low	31.3	Very low	162 Å²	162	142.6 Å²	142.6	85%	0.848	77%	0.77	S	S	*	*			trans	-147.1	117.9	155.3	-117.8	166.2	0	0	0	108.7
303	T	26.7	Very low	31.6	Very low	119 Å²	119	143.2 Å²	143.2	73%	0.73	77%	0.772	S	S	*	*			trans	-96.3	136.9	170.5	48.9	0	0	0	0	109.1
304	D	31.4	Very low	31.8	Very low	152 Å²	152	147.5 Å²	147.5	81%	0.813	78%	0.782	S	S	*	*			trans	-140.6	123.6	156.2	-91.3	-43.8	0	0	0	109
305	E	30.8	Very low	31.7	Very low	186 Å²	186	148.3 Å²	148.3	87%	0.869	79%	0.787	S	S	*	*			trans	-87.8	130.5	165.2	-63.5	175.4	130.4	0	0	107.9
306	L	34.5	Very low	32	Very low	171 Å²	171	152.8 Å²	152.8	90%	0.895	80%	0.796	S	S	*	*			trans	-138.9	110.4	163.6	-76.9	179.6	0	0	0	110.3
307	D	26.5	Very low	31.9	Very low	153 Å²	153	151.1 Å²	151.1	82%	0.818	80%	0.796	S	S	*	*			trans	-70.5	-160.2	157.2	-75.4	-53.6	0	0	0	110.4
308	C	28.5	Very low	32	Very low	108 Å²	108	153 Å²	153	73%	0.73	81%	0.805	S	S	*	*			trans	80.6	138.9	171.7	-57.9	0	0	0	0	115.5
309	E	33.5	Very low	32	Very low	159 Å²	159	156 Å²	156	74%	0.743	82%	0.815	S	S	*	*			cis	-156.7	152.7	-3.9	-124	154.6	-141	0	0	110.5
310	D	27.5	Very low	32.3	Very low	163 Å²	163	152 Å²	152	87%	0.872	81%	0.808	S	S	*	*			trans	-67.8	135	162.6	-72.2	-61.6	0	0	0	109.2
311	I	34.3	Very low	32.1	Very low	136 Å²	136	148 Å²	148	70%	0.697	81%	0.806	S	S	*	*			trans	-126.6	90.6	177.2	-52	-177.7	0	0	0	110	I313	I311-I313 HydrophobicContact CG2-CD1 4.21Å; I311-I313 HydrophobicContact CG2-CG1 3.82Å
312	D	27.6	Very low	32.3	Very low	158 Å²	158	147.5 Å²	147.5	85%	0.845	80%	0.804	S	S	*	*			trans	-64.7	139.6	156.1	-76.8	-50.9	0	0	0	109.7
313	I	37.5	Very low	32.3	Very low	155 Å²	155	150 Å²	150	80%	0.795	81%	0.808	S	S	*	*			trans	-127.8	97.8	170.2	-56	-174.8	0	0	0	108.4	I311	I311-I313 HydrophobicContact CG2-CD1 4.21Å; I311-I313 HydrophobicContact CG2-CG1 3.82Å
314	E	34	Very low	32.7	Very low	182 Å²	182	152 Å²	152	85%	0.85	81%	0.813	S	S	*	*			trans	-73.1	168.4	170.6	-68.8	-165.7	128.5	0	0	112.5
315	D	30.8	Very low	33	Very low	150 Å²	150	149.1 Å²	149.1	80%	0.802	80%	0.804	S	S	*	*			trans	-54.5	137.3	-175.6	-73.7	-58.7	0	0	0	114.9
316	Q	37.7	Very low	33.1	Very low	197 Å²	197	148.4 Å²	148.4	92%	0.921	81%	0.807	S	S	*	*			trans	-128.7	126.2	135.1	-74.5	-155.5	7.1	0	0	111.7
317	V	34.1	Very low	33.3	Very low	120 Å²	120	148.9 Å²	148.9	73%	0.727	80%	0.802	S	S	*	*			trans	-87.8	133.7	-177.7	175.1	0	0	0	0	110.2
318	H	37.2	Very low	34	Very low	188 Å²	188	146.9 Å²	146.9	87%	0.87	80%	0.8	S	S	*	*			trans	-141.4	141	147.7	-119	-66.2	0	0	0	112.8
319	D	33.9	Very low	34.7	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	80%	0.804	S	S	*	*			trans	-66.1	145.8	-165.3	-153.8	-16.4	0	0	0	114.4
320	G	35.6	Very low	35.6	Very low	65 Å²	65	145.3 Å²	145.3	67%	0.67	79%	0.792	S	S	*	*			trans	172.4	52.3	-169.1	0	0	0	0	0	115.1	T322	G320-T322 PolarHBondContact O-N 3.08Å; G320-T322 VanDerWaalsContact O-N 3.17Å
321	A	29.8	Very low	37.2	Very low	97 Å²	97	142 Å²	142	80%	0.802	78%	0.781	S	S	*	*			trans	-54.9	113.9	-166.9	0	0	0	0	0	116.4
322	T	34	Very low	39	Very low	126 Å²	126	138.2 Å²	138.2	77%	0.773	77%	0.765	S	S	*	*			trans	-137.7	121.2	156.8	-59.6	0	0	0	0	110.2	G320 L324	G320-T322 PolarHBondContact O-N 3.08Å; G320-T322 VanDerWaalsContact O-N 3.17Å; T322-L324 PolarHBondContact O-N 3.45Å
323	K	32.4	Very low	41.3	Very low	215 Å²	215	131 Å²	131	94%	0.935	73%	0.728	S	S	*	*			trans	-76.8	88.3	-176.8	-72.9	-176.8	176.6	178.5	0	112.3
324	L	36.6	Very low	43.8	Very low	161 Å²	161	124.6 Å²	124.6	84%	0.843	70%	0.695	S	S	*	*			trans	-77.2	117.3	161.2	-79.4	164.4	0	0	0	109.5	T322	T322-L324 PolarHBondContact O-N 3.45Å
325	S	36.9	Very low	46.8	Very low	90 Å²	90	116 Å²	116	63%	0.629	66%	0.655	S	S	*	*			trans	-78.6	127.3	178.6	61	0	0	0	0	111.1	K327	S325-K327 PolarHBondContact O-N 3.35Å
326	N	31.7	Very low	50	Low	172 Å²	172	108.9 Å²	108.9	92%	0.92	62%	0.617	S	S	*	*			trans	-65.4	79.8	167	-77.4	-6.3	0	0	0	111
327	K	39	Very low	52.9	Low	181 Å²	181	99.5 Å²	99.5	79%	0.787	57%	0.573	S	S	*	*			trans	-81.6	109.2	157.6	-78.4	-176.5	174.5	178.9	0	107.2	S325	S325-K327 PolarHBondContact O-N 3.35Å
328	S	41.4	Very low	55.9	Low	111 Å²	111	93.8 Å²	93.8	78%	0.776	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-54.3	140.7	162.8	45.1	0	0	0	0	109.2
329	L	42.9	Very low	58.8	Low	156 Å²	156	85.7 Å²	85.7	82%	0.817	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-60.6	137.8	166.4	-94.2	66.9	0	0	0	107.9	C331	L329-C331 PolarHBondContact O-N 2.83Å
330	P	52.2	Low	61.8	Low	77 Å²	77	78.5 Å²	78.5	50%	0.5	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-57.8	135.4	172.2	24.8	-33	0	0	0	109.2	H263	H263-P330 HydrophobicContact CB-CB 4.42Å; H263-P330 HydrophobicContact CB-CG 4.28Å; H263-P330 WeakPolarHBondContact O-CG 3.43Å
331	C	62.4	Low	64.8	Low	95 Å²	95	76.2 Å²	76.2	64%	0.642	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-57	138	175.2	-62.5	0	0	0	0	109.3	L264 L329	L264-C331 WeakPolarHBondContact CD2-O 3.32Å; L329-C331 PolarHBondContact O-N 2.83Å
332	P	71.4	Confident	68.1	Low	56 Å²	56	71.6 Å²	71.6	36%	0.364	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-64.8	151.1	179.1	28.6	-35.2	0	0	0	111	Q266	Q266-P332 HydrophobicContact CG-CB 3.71Å; Q266-P332 VanDerWaalsContact NE2-CB 3.29Å
333	G	76.8	Confident	71.2	Confident	5 Å²	5	67.2 Å²	67.2	5%	0.052	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-63.3	136.2	178.2	0	0	0	0	0	111.4	L264	L264-G333 PolarHBondContact O-N 3.43Å
334	I	90	Very high	74.3	Confident	22 Å²	22	57 Å²	57	11%	0.113	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.8	-176	-54.8	-59.5	0	0	0	109.2	D163 V234 I235 F336	D163-I334 HydrophobicContact CB-CG1 4.23Å; V234-I334 WeakPolarHBondContact CA-O 3.33Å; V234-I334 HydrophobicContact CG1-CB 4.11Å; V234-I334 HydrophobicContact CG1-CG2 4.2Å; V234-I334 HydrophobicContact CG2-CB 4.14Å; I235-I334 PolarHBondContact N-O 3.01Å; I334-F336 HydrophobicContact CG2-CD1 3.38Å; I334-F336 HydrophobicContact CG2-CE1 3.41Å; I334-F336 VanDerWaalsContact CG2-CE1 3.41Å; I334-F336 HydrophobicContact CG2-CG 4.23Å; I334-F336 HydrophobicContact CG2-CZ 4.27Å
335	M	96.8	Very high	77.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.5	168.9	-71.6	-174	71.3	0	0	106.5	I235 Y253 R257 P337 S338 F409 R410	I235-M335 HydrophobicContact CB-CG 4.49Å; I235-M335 CarbonylContact O-C 3.48Å; I235-M335 WeakPolarHBondContact O-CA 3.5Å; Y253-M335 HydrophobicContact CD1-CE 3.94Å; Y253-M335 HydrophobicContact CD2-CE 4.34Å; Y253-M335 HydrophobicContact CE1-CE 3.6Å; Y253-M335 HydrophobicContact CE2-CE 4.02Å; Y253-M335 HydrophobicContact CG-CE 4.3Å; Y253-M335 VanDerWaalsContact OH-C 3.31Å; Y253-M335 WeakPolarHBondContact OH-CB 3.47Å; R257-M335 HydrophobicContact CG-CE 3.8Å; R257-M335 HydrophobicContact CG-SD 3.42Å; R257-M335 WeakPolarHBondContact CG-SD 3.35Å; M335-P337 VanDerWaalsContact C-C 3.5Å; M335-P337 CarbonylContact C-O 3.49Å; M335-P337 VanDerWaalsContact C-O 3.23Å; M335-P337 CarbonylContact O-C 3.59Å; M335-P337 VanDerWaalsContact O-O 3.1Å; M335-S338 WeakPolarHBondContact O-CA 3.48Å; M335-S338 VanDerWaalsContact O-CB 3.27Å; M335-S338 WeakPolarHBondContact O-CB 3.47Å; M335-S338 PolarHBondContact O-N 3.28Å; M335-S338 PolarHBondContact O-OG 2.83Å; M335-F409 HydrophobicContact CE-CB 4.01Å; M335-F409 HydrophobicContact SD-CB 4.49Å; M335-R410 HydrophobicContact CB-CG 4.25Å; M335-R410 HydrophobicContact CG-CG 4.4Å; M335-R410 HydrophobicContact SD-CG 4.27Å
336	F	97.8	Very high	80.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	107	178.1	-93.8	23	0	0	0	109.3	A155 I156 N159 F164 I235 I236 S237 Y253 I334 F445	A155-F336 HydrophobicContact CB-CD2 4.36Å; A155-F336 HydrophobicContact CB-CE2 4.11Å; A155-F336 WeakPolarHBondContact O-CE2 3.47Å; I156-F336 HydrophobicContact CG1-CD2 4.05Å; I156-F336 HydrophobicContact CG1-CE2 4.5Å; N159-F336 HydrophobicContact CB-CZ 4.17Å; F164-F336 HydrophobicContact CE2-CD2 4.1Å; F164-F336 AromaticContact CE2-CE2 3.75Å; F164-F336 HydrophobicContact CE2-CE2 3.75Å; F164-F336 HydrophobicContact CE2-CZ 4.4Å; F164-F336 AromaticContact CZ-CD2 3.81Å; F164-F336 HydrophobicContact CZ-CD2 3.81Å; F164-F336 AromaticContact CZ-CE2 3.96Å; F164-F336 HydrophobicContact CZ-CE2 3.96Å; I235-F336 PolarHBondContact O-N 2.98Å; I236-F336 WeakPolarHBondContact CA-O 3.28Å; I236-F336 HydrophobicContact CG2-CB 4.18Å; S237-F336 PolarHBondContact N-O 3.01Å; S237-F336 VanDerWaalsContact N-O 3.16Å; Y253-F336 PolarHBondContact OH-N 2.66Å; Y253-F336 PolarHBondContact OH-O 3.26Å; I334-F336 HydrophobicContact CG2-CD1 3.38Å; I334-F336 HydrophobicContact CG2-CE1 3.41Å; I334-F336 VanDerWaalsContact CG2-CE1 3.41Å; I334-F336 HydrophobicContact CG2-CG 4.23Å; I334-F336 HydrophobicContact CG2-CZ 4.27Å; F336-F445 HydrophobicContact CB-CD1 3.76Å; F336-F445 HydrophobicContact CB-CE1 4.35Å; F336-F445 HydrophobicContact CD1-CB 4.07Å; F336-F445 HydrophobicContact CD1-CD1 4.32Å; F336-F445 HydrophobicContact CD2-CB 4.22Å; F336-F445 AromaticContact CD2-CD1 3.99Å; F336-F445 HydrophobicContact CD2-CD1 3.99Å; F336-F445 HydrophobicContact CE1-CB 4.02Å; F336-F445 HydrophobicContact CE2-CB 4.18Å; F336-F445 HydrophobicContact CG-CB 4.18Å; F336-F445 AromaticContact CG-CD1 3.76Å; F336-F445 HydrophobicContact CG-CD1 3.76Å; F336-F445 HydrophobicContact CG-CG 4.46Å; F336-F445 HydrophobicContact CZ-CB 4.08Å
337	P	98.2	Very high	83.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	S	Bend	cis	-70.8	155.1	2.3	30.3	-35.8	0	0	0	113.5	S237 M240 Y253 M335 F409 V443 F445	S237-P337 WeakPolarHBondContact O-CD 3.26Å; M240-P337 HydrophobicContact SD-CG 4.05Å; Y253-P337 HydrophobicContact CE1-CG 4.41Å; Y253-P337 WeakPolarHBondContact CE1-O 3.38Å; Y253-P337 PolarHBondContact OH-O 3Å; M335-P337 VanDerWaalsContact C-C 3.5Å; M335-P337 CarbonylContact C-O 3.49Å; M335-P337 VanDerWaalsContact C-O 3.23Å; M335-P337 CarbonylContact O-C 3.59Å; M335-P337 VanDerWaalsContact O-O 3.1Å; P337-F409 HydrophobicContact CB-CD2 4.5Å; P337-F409 HydrophobicContact CB-CE2 4.26Å; P337-F409 HydrophobicContact CG-CD2 4.31Å; P337-F409 HydrophobicContact CG-CE2 3.99Å; P337-V443 HydrophobicContact CB-CB 3.79Å; P337-V443 HydrophobicContact CB-CG2 4.09Å; P337-V443 HydrophobicContact CG-CB 4.37Å; P337-F445 HydrophobicContact CB-CD1 4.16Å; P337-F445 HydrophobicContact CB-CE1 3.87Å; P337-F445 HydrophobicContact CB-CZ 4.37Å
338	S	97.2	Very high	86.1	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.007	19%	0.186	C	C	.	.			trans	-96.7	-39.2	-177.4	-43	0	0	0	0	112.2	M335 F409 G444 L446	M335-S338 WeakPolarHBondContact O-CA 3.48Å; M335-S338 VanDerWaalsContact O-CB 3.27Å; M335-S338 WeakPolarHBondContact O-CB 3.47Å; M335-S338 PolarHBondContact O-N 3.28Å; M335-S338 PolarHBondContact O-OG 2.83Å; S338-F409 PolarHBondContact O-N 3.12Å; S338-G444 WeakPolarHBondContact CB-O 3.43Å; S338-G444 PolarHBondContact N-O 2.76Å; S338-L446 PolarHBondContact OG-N 2.71Å
339	V	97.6	Very high	88.7	Confident	18 Å²	18	26.4 Å²	26.4	11%	0.109	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.6	-178.3	-61.8	0	0	0	0	110.1	V407 D408 V443 G444 L446 W453	V339-V407 CarbonylContact C-O 3.53Å; V339-V407 WeakPolarHBondContact CA-O 3.47Å; V339-V407 WeakPolarHBondContact CB-O 3.37Å; V339-D408 HydrophobicContact CG1-CB 4.19Å; V339-V443 WeakPolarHBondContact O-CA 3.43Å; V339-G444 PolarHBondContact N-O 2.76Å; V339-G444 PolarHBondContact O-N 3.27Å; V339-L446 HydrophobicContact CB-CD1 4.43Å; V339-L446 HydrophobicContact CG1-CD1 3.68Å; V339-L446 HydrophobicContact CG2-CD1 3.83Å; V339-L446 HydrophobicContact CG2-CD2 4.41Å; V339-L446 HydrophobicContact CG2-CG 4.08Å; V339-W453 HydrophobicContact CG2-CH2 3.6Å; V339-W453 HydrophobicContact CG2-CZ2 4.2Å; V339-W453 HydrophobicContact CG2-CZ3 4.16Å
340	A	98.4	Very high	91.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.9	168.2	0	0	0	0	0	111.5	L244 K406 V407 F409 D442 V443	L244-A340 HydrophobicContact CD1-CB 3.85Å; L244-A340 HydrophobicContact CD2-CB 3.56Å; L244-A340 HydrophobicContact CG-CB 4.37Å; A340-K406 WeakPolarHBondContact O-CA 3.19Å; A340-V407 PolarHBondContact N-O 2.63Å; A340-V407 PolarHBondContact O-N 2.85Å; A340-F409 HydrophobicContact CB-CE1 4.45Å; A340-F409 HydrophobicContact CB-CE2 3.79Å; A340-F409 HydrophobicContact CB-CZ 3.45Å; A340-F409 VanDerWaalsContact CB-CZ 3.45Å; A340-D442 CarbonylContact C-O 3.55Å; A340-D442 VanDerWaalsContact CA-O 3.24Å; A340-D442 WeakPolarHBondContact CA-O 3.32Å; A340-V443 HydrophobicContact CB-CG1 3.89Å
341	N	98.4	Very high	93.1	Very high	17 Å²	17	24 Å²	24	9%	0.091	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.8	172.3	-62.9	-22.2	0	0	0	107.4	Y343 I404 H405 K406 F441 D442	N341-Y343 HydrophobicContact CB-CD2 4.25Å; N341-Y343 HydrophobicContact CB-CE2 3.53Å; N341-Y343 PolarHBondContact ND2-OH 2.79Å; N341-I404 HydrophobicContact CB-CG2 3.8Å; N341-H405 CarbonylContact C-O 3.49Å; N341-H405 WeakPolarHBondContact CA-O 3.42Å; N341-K406 WeakPolarHBondContact OD1-CG 3.46Å; N341-F441 CarbonylContact O-C 3.57Å; N341-F441 WeakPolarHBondContact O-CA 3.34Å; N341-F441 WeakPolarHBondContact O-CB 3.2Å; N341-D442 HydrophobicContact CB-CB 4.49Å; N341-D442 PolarHBondContact N-O 3.12Å; N341-D442 PolarHBondContact O-N 2.94Å
342	L	98.6	Very high	94.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.9	163.6	179.7	74.2	0	0	0	108.1	L244 Y245 I344 H405 I422 F439 F441 M490	L244-L342 HydrophobicContact CB-CD1 4.29Å; L244-L342 HydrophobicContact CD2-CB 4.36Å; Y245-L342 HydrophobicContact CD2-CD2 4.47Å; Y245-L342 HydrophobicContact CE2-CD2 3.92Å; L342-I344 HydrophobicContact CD2-CD1 4.26Å; L342-I344 HydrophobicContact CD2-CG1 4.32Å; L342-I344 HydrophobicContact CG-CG1 4.31Å; L342-H405 HydrophobicContact CB-CB 4.42Å; L342-H405 PolarHBondContact N-O 3.14Å; L342-H405 PolarHBondContact O-N 2.98Å; L342-I422 HydrophobicContact CD2-CD1 3.98Å; L342-F439 HydrophobicContact CD1-CD1 4.48Å; L342-F439 HydrophobicContact CD2-CD1 4.26Å; L342-F441 HydrophobicContact CD1-CB 4.34Å; L342-M490 HydrophobicContact CD2-CE 4.2Å
343	Y	98.6	Very high	95.8	Very high	34 Å²	34	17.9 Å²	17.9	13%	0.133	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141	175.2	-62.3	-102	0	0	0	109.5	N341 P402 C403 I404 F439 W440 D442	N341-Y343 HydrophobicContact CB-CD2 4.25Å; N341-Y343 HydrophobicContact CB-CE2 3.53Å; N341-Y343 PolarHBondContact ND2-OH 2.79Å; Y343-P402 HydrophobicContact CD1-CB 4.08Å; Y343-P402 HydrophobicContact CD1-CG 3.99Å; Y343-C403 CarbonylContact C-O 3.58Å; Y343-C403 WeakPolarHBondContact CA-O 3.39Å; Y343-I404 HydrophobicContact CD1-CD1 4.08Å; Y343-I404 HydrophobicContact CD1-CG1 3.74Å; Y343-I404 HydrophobicContact CD1-CG2 4.36Å; Y343-I404 HydrophobicContact CE1-CD1 3.58Å; Y343-I404 HydrophobicContact CE1-CG1 3.75Å; Y343-I404 HydrophobicContact CE1-CG2 4.12Å; Y343-F439 WeakPolarHBondContact O-CA 3.46Å; Y343-W440 HydrophobicContact CD1-CZ2 4.22Å; Y343-W440 AromaticContact CD1-NE1 3.9Å; Y343-W440 AromaticContact CD2-CD1 3.57Å; Y343-W440 HydrophobicContact CD2-CG 4.47Å; Y343-W440 AromaticContact CD2-NE1 3.36Å; Y343-W440 AromaticContact CG-CD1 3.88Å; Y343-W440 HydrophobicContact CG-CD2 4.46Å; Y343-W440 AromaticContact CG-CE2 3.7Å; Y343-W440 HydrophobicContact CG-CZ2 4.09Å; Y343-W440 AromaticContact CG-NE1 3.28Å; Y343-W440 VanDerWaalsContact CG-NE1 3.28Å; Y343-W440 PolarHBondContact N-O 3.46Å; Y343-W440 PolarHBondContact O-N 3.48Å; Y343-D442 HydrophobicContact CE2-CB 4.04Å; Y343-D442 WeakPolarHBondContact CE2-OD2 3.3Å; Y343-D442 PolarHBondContact OH-OD2 2.91Å
344	I	98.6	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.6	-179.5	-44.4	178.4	0	0	0	107.9	L342 P402 C403 I422 L424 Y426 L437 A438 F439 V488	L342-I344 HydrophobicContact CD2-CD1 4.26Å; L342-I344 HydrophobicContact CD2-CG1 4.32Å; L342-I344 HydrophobicContact CG-CG1 4.31Å; I344-P402 CarbonylContact O-C 3.59Å; I344-P402 VanDerWaalsContact O-CA 3.28Å; I344-P402 WeakPolarHBondContact O-CA 3.24Å; I344-C403 PolarHBondContact N-O 2.84Å; I344-C403 PolarHBondContact O-N 2.82Å; I344-I422 HydrophobicContact CD1-CB 4.33Å; I344-I422 HydrophobicContact CD1-CD1 3.86Å; I344-I422 HydrophobicContact CD1-CG2 3.8Å; I344-L424 HydrophobicContact CB-CD2 4.27Å; I344-L424 HydrophobicContact CD1-CD2 4.02Å; I344-L424 HydrophobicContact CG2-CD2 4.17Å; I344-Y426 WeakPolarHBondContact CG2-OH 3.35Å; I344-Y426 WeakPolarHBondContact O-CE1 3.36Å; I344-Y426 PolarHBondContact O-OH 2.86Å; I344-L437 HydrophobicContact CG2-CB 4.18Å; I344-L437 HydrophobicContact CG2-CD1 3.95Å; I344-L437 HydrophobicContact CG2-CG 4.46Å; I344-A438 WeakPolarHBondContact CA-O 3.44Å; I344-F439 HydrophobicContact CB-CD1 4.34Å; I344-F439 HydrophobicContact CB-CE1 4.27Å; I344-F439 HydrophobicContact CD1-CD1 4.26Å; I344-F439 HydrophobicContact CD1-CE1 3.83Å; I344-F439 HydrophobicContact CG1-CD1 3.77Å; I344-F439 HydrophobicContact CG1-CE1 3.78Å; I344-F439 HydrophobicContact CG2-CD1 4.02Å; I344-F439 HydrophobicContact CG2-CE1 3.6Å; I344-F439 HydrophobicContact CG2-CZ 3.9Å; I344-V488 HydrophobicContact CD1-CG2 4.04Å; I344-V488 HydrophobicContact CG2-CG2 4.37Å
345	V	98.1	Very high	96.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.7	-179.6	70.5	0	0	0	0	110.9	C398 A400 P402 L437 A438 W440	V345-C398 HydrophobicContact CG1-CB 4.16Å; V345-C398 WeakPolarHBondContact CG1-SG 3.3Å; V345-C398 HydrophobicContact CG2-CB 3.9Å; V345-A400 HydrophobicContact CG2-CB 4.43Å; V345-A400 VanDerWaalsContact CG2-O 3.26Å; V345-A400 WeakPolarHBondContact CG2-O 3.39Å; V345-P402 HydrophobicContact CB-CB 4.12Å; V345-L437 CarbonylContact O-C 3.54Å; V345-L437 WeakPolarHBondContact O-CA 3.3Å; V345-A438 HydrophobicContact CG1-CB 4.08Å; V345-A438 PolarHBondContact N-O 3.1Å; V345-A438 PolarHBondContact O-N 3.37Å; V345-W440 HydrophobicContact CB-CH2 4.47Å; V345-W440 HydrophobicContact CG1-CH2 3.85Å; V345-W440 HydrophobicContact CG1-CZ3 3.58Å
346	P	98.1	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	153.8	167.8	27.9	-36.4	0	0	0	111.8	C398 P399 A400 Y426 I428 I434 G436 L437 L484	P346-C398 WeakPolarHBondContact O-CA 3.37Å; P346-C398 PolarHBondContact O-SG 2.9Å; P346-C398 VanDerWaalsContact O-SG 3.4Å; P346-P399 HydrophobicContact CG-CG 4.43Å; P346-P399 WeakPolarHBondContact O-CD 3.35Å; P346-A400 HydrophobicContact CG-CB 3.78Å; P346-Y426 HydrophobicContact CG-CD2 4.38Å; P346-Y426 HydrophobicContact CG-CG 4.35Å; P346-I428 HydrophobicContact CG-CD1 4.46Å; P346-I434 HydrophobicContact CB-CD1 3.99Å; P346-I434 HydrophobicContact CB-CG1 4.31Å; P346-I434 HydrophobicContact CB-CG2 3.71Å; P346-G436 WeakPolarHBondContact CA-O 3.24Å; P346-L437 HydrophobicContact CB-CD2 4.32Å; P346-L484 HydrophobicContact CB-CD2 4.3Å; P346-L484 HydrophobicContact CG-CD2 4.45Å
347	F	97.6	Very high	96.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.7	171.5	72.6	-95.8	0	0	0	113	D349 L352 I397 H435 G436 A438 R469 L471	F347-D349 HydrophobicContact CD2-CB 3.79Å; F347-D349 HydrophobicContact CE2-CB 3.89Å; F347-L352 HydrophobicContact CE2-CD2 3.91Å; F347-L352 HydrophobicContact CZ-CD2 3.97Å; F347-I397 WeakPolarHBondContact CA-O 3.05Å; F347-I397 HydrophobicContact CB-CD1 3.89Å; F347-I397 HydrophobicContact CB-CG1 3.96Å; F347-I397 HydrophobicContact CD2-CD1 4.14Å; F347-I397 HydrophobicContact CG-CD1 4.28Å; F347-H435 HydrophobicContact CD2-CB 4.35Å; F347-H435 HydrophobicContact CE2-CB 4Å; F347-H435 PolarHBondContact O-N 3.16Å; F347-G436 VanDerWaalsContact CD1-C 3.43Å; F347-G436 WeakPolarHBondContact CD1-O 3.31Å; F347-G436 VanDerWaalsContact CE1-CA 3.43Å; F347-G436 PolarHBondContact N-O 3.13Å; F347-A438 HydrophobicContact CD1-CB 3.8Å; F347-A438 HydrophobicContact CE1-CB 4.46Å; F347-R469 HydrophobicContact CE1-CB 3.78Å; F347-R469 HydrophobicContact CE1-CG 4.13Å; F347-R469 HydrophobicContact CZ-CB 3.91Å; F347-R469 HydrophobicContact CZ-CG 4.44Å; F347-L471 HydrophobicContact CE2-CD2 4.15Å; F347-L471 HydrophobicContact CZ-CD2 3.86Å
348	S	96.9	Very high	96.2	Very high	42 Å²	42	28.1 Å²	28.1	29%	0.294	16%	0.164	S	C	.	.			trans	-116.9	95.3	175.4	174.6	0	0	0	0	110.9	I397 T433	S348-I397 PolarHBondContact N-O 3.5Å; S348-T433 WeakPolarHBondContact CA-O 3.47Å; S348-T433 WeakPolarHBondContact CB-O 3.46Å; S348-T433 PolarHBondContact OG-O 3.32Å
349	D	95.8	Very high	96.1	Very high	30 Å²	30	31 Å²	31	16%	0.16	18%	0.177	C	C	.	.			trans	-133.4	87.2	175.5	-172.2	-13.7	0	0	0	110.2	F347 A351 L352 F353 I397 H435 R469	F347-D349 HydrophobicContact CD2-CB 3.79Å; F347-D349 HydrophobicContact CE2-CB 3.89Å; D349-A351 VanDerWaalsContact C-N 3.26Å; D349-A351 PolarHBondContact O-N 2.87Å; D349-A351 PolarHBondContact OD1-N 3.09Å; D349-A351 VanDerWaalsContact OD1-N 3.16Å; D349-L352 HydrophobicContact CB-CB 4Å; D349-L352 PolarHBondContact O-N 2.9Å; D349-L352 PolarHBondContact OD1-N 3.1Å; D349-L352 WeakPolarHBondContact OD2-CB 3.12Å; D349-F353 PolarHBondContact O-N 3.1Å; D349-I397 HydrophobicContact CB-CD1 4.3Å; D349-H435 PolarHBondContact N-ND1 2.87Å; D349-R469 IonicContact OD2-CZ 2.76Å; D349-R469 IonicContact OD2-NH1 2.72Å; D349-R469 PolarHBondContact OD2-NH1 2.8Å; D349-R469 IonicContact OD2-NH2 3.3Å
350	E	94.3	Very high	95.8	Very high	114 Å²	114	30.1 Å²	30.1	53%	0.533	17%	0.172	S	C	.	.	H	α-helix	trans	-59.6	-36.3	175.4	-179.6	73	-125.8	0	0	111.4	F353 A354 H435	E350-F353 PolarHBondContact O-N 3.46Å; E350-A354 VanDerWaalsContact O-CB 3.23Å; E350-A354 WeakPolarHBondContact O-CB 3.35Å; E350-A354 PolarHBondContact O-N 2.92Å; E350-H435 IonicContact OE2-CE1 3.59Å; E350-H435 IonicContact OE2-NE2 3.64Å; E350-H435 PolarHBondContact OE2-NE2 2.66Å
351	A	93.6	Very high	95.5	Very high	67 Å²	67	33.2 Å²	33.2	55%	0.554	19%	0.188	S	C	*	.	H	α-helix	trans	-67.5	-41	-178.1	0	0	0	0	0	111.4	D349 E355	D349-A351 VanDerWaalsContact C-N 3.26Å; D349-A351 PolarHBondContact O-N 2.87Å; D349-A351 PolarHBondContact OD1-N 3.09Å; D349-A351 VanDerWaalsContact OD1-N 3.16Å; A351-E355 VanDerWaalsContact O-CB 3.27Å; A351-E355 WeakPolarHBondContact O-CB 3.46Å; A351-E355 PolarHBondContact O-N 3.15Å
352	L	95	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-43.2	173	-178.1	71.1	0	0	0	112.3	F347 D349 E355 Q356 I389 R469 L471 R525	F347-L352 HydrophobicContact CE2-CD2 3.91Å; F347-L352 HydrophobicContact CZ-CD2 3.97Å; D349-L352 HydrophobicContact CB-CB 4Å; D349-L352 PolarHBondContact O-N 2.9Å; D349-L352 PolarHBondContact OD1-N 3.1Å; D349-L352 WeakPolarHBondContact OD2-CB 3.12Å; L352-E355 PolarHBondContact O-N 3.45Å; L352-Q356 WeakPolarHBondContact O-CG 3.36Å; L352-Q356 PolarHBondContact O-N 3.4Å; L352-Q356 PolarHBondContact O-NE2 2.65Å; L352-I389 HydrophobicContact CD1-CD1 3.73Å; L352-I389 HydrophobicContact CD1-CG2 4.27Å; L352-I389 HydrophobicContact CD2-CD1 4.17Å; L352-I389 HydrophobicContact CG-CD1 4.05Å; L352-R469 HydrophobicContact CD2-CB 4.43Å; L352-L471 HydrophobicContact CD2-CD2 4Å; L352-L471 HydrophobicContact CD2-CG 4.49Å; L352-L471 HydrophobicContact CG-CD2 4.33Å; L352-R525 VanDerWaalsContact CD1-CD 3.41Å; L352-R525 VanDerWaalsContact CD1-NE 3.31Å
353	F	95.6	Very high	95.2	Very high	23 Å²	23	39.8 Å²	39.8	10%	0.101	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-49.6	179.5	-173.7	-81.7	0	0	0	111.1	D349 E350 E355 Q356 Y357 F385 H435 L471 P475	D349-F353 PolarHBondContact O-N 3.1Å; E350-F353 PolarHBondContact O-N 3.46Å; F353-E355 VanDerWaalsContact C-N 3.28Å; F353-E355 PolarHBondContact O-N 2.91Å; F353-Q356 PolarHBondContact O-N 2.86Å; F353-Y357 PolarHBondContact O-N 3.35Å; F353-F385 HydrophobicContact CD1-CZ 4.36Å; F353-F385 AromaticContact CD2-CE1 3.57Å; F353-F385 HydrophobicContact CD2-CE1 3.57Å; F353-F385 AromaticContact CD2-CZ 3.92Å; F353-F385 HydrophobicContact CD2-CZ 3.92Å; F353-F385 HydrophobicContact CE1-CZ 4.14Å; F353-F385 HydrophobicContact CE2-CD1 4.4Å; F353-F385 AromaticContact CE2-CE1 3.31Å; F353-F385 HydrophobicContact CE2-CE1 3.31Å; F353-F385 AromaticContact CE2-CZ 3.7Å; F353-F385 HydrophobicContact CE2-CZ 3.7Å; F353-F385 HydrophobicContact CG-CE1 4.31Å; F353-F385 HydrophobicContact CG-CZ 4.23Å; F353-F385 AromaticContact CZ-CE1 3.84Å; F353-F385 HydrophobicContact CZ-CE1 3.84Å; F353-F385 AromaticContact CZ-CZ 3.78Å; F353-F385 HydrophobicContact CZ-CZ 3.78Å; F353-H435 VanDerWaalsContact CB-CD2 3.44Å; F353-H435 WeakPolarHBondContact CB-CD2 3.17Å; F353-H435 AromaticContact CD2-CD2 3.68Å; F353-H435 AromaticContact CG-CD2 3.59Å; F353-L471 HydrophobicContact CB-CD2 4.46Å; F353-L471 HydrophobicContact CD2-CD2 4.29Å; F353-P475 HydrophobicContact CD1-CG 4.43Å; F353-P475 HydrophobicContact CD2-CG 4.12Å; F353-P475 HydrophobicContact CE1-CG 3.97Å; F353-P475 HydrophobicContact CE2-CG 3.61Å; F353-P475 HydrophobicContact CZ-CG 3.56Å
354	A	95.2	Very high	94.9	Very high	50 Å²	50	45.1 Å²	45.1	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-33	176.1	0	0	0	0	0	112.6	E350 G358	E350-A354 VanDerWaalsContact O-CB 3.23Å; E350-A354 WeakPolarHBondContact O-CB 3.35Å; E350-A354 PolarHBondContact O-N 2.92Å; A354-G358 WeakPolarHBondContact O-CA 3.47Å; A354-G358 PolarHBondContact O-N 3.36Å
355	E	94.5	Very high	94.7	Very high	61 Å²	61	48.7 Å²	48.7	29%	0.285	25%	0.252	S	S	.	.	H	α-helix	trans	-63.9	-45.9	174.5	-174.4	-159.5	110.7	0	0	112.1	A351 L352 F353 G358 K359 R525	A351-E355 VanDerWaalsContact O-CB 3.27Å; A351-E355 WeakPolarHBondContact O-CB 3.46Å; A351-E355 PolarHBondContact O-N 3.15Å; L352-E355 PolarHBondContact O-N 3.45Å; F353-E355 VanDerWaalsContact C-N 3.28Å; F353-E355 PolarHBondContact O-N 2.91Å; E355-G358 PolarHBondContact O-N 3.5Å; E355-K359 WeakPolarHBondContact O-CG 3.07Å; E355-K359 PolarHBondContact O-N 2.93Å; E355-K359 WeakPolarHBondContact OE1-CE 3.48Å; E355-K359 IonicContact OE1-NZ 3.34Å; E355-K359 PolarHBondContact OE1-NZ 3Å; E355-R525 IonicContact OE1-NE 2.82Å; E355-R525 PolarHBondContact OE1-NE 3.31Å; E355-R525 IonicContact OE2-CZ 2.65Å; E355-R525 IonicContact OE2-NE 2.71Å; E355-R525 PolarHBondContact OE2-NE 3.41Å; E355-R525 IonicContact OE2-NH2 3.93Å; E355-R525 PolarHBondContact OE2-NH2 2.92Å
356	Q	93.4	Very high	94.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-69.7	-39.6	179.4	-51.3	-29.4	-61.8	0	0	111.3	L352 F353 G358 K359 A360 F385 I389 L471	L352-Q356 WeakPolarHBondContact O-CG 3.36Å; L352-Q356 PolarHBondContact O-N 3.4Å; L352-Q356 PolarHBondContact O-NE2 2.65Å; F353-Q356 PolarHBondContact O-N 2.86Å; Q356-G358 VanDerWaalsContact C-N 3.28Å; Q356-G358 PolarHBondContact O-N 3.42Å; Q356-K359 PolarHBondContact O-N 2.62Å; Q356-A360 PolarHBondContact O-N 3.04Å; Q356-F385 HydrophobicContact CB-CD2 4.39Å; Q356-F385 HydrophobicContact CB-CE2 3.88Å; Q356-F385 HydrophobicContact CB-CZ 4.13Å; Q356-I389 HydrophobicContact CG-CD1 3.84Å; Q356-L471 HydrophobicContact CB-CD1 4.19Å; Q356-L471 HydrophobicContact CG-CD1 3.44Å; Q356-L471 VanDerWaalsContact CG-CD1 3.44Å
357	Y	92.2	Very high	94.4	Very high	91 Å²	91	59.9 Å²	59.9	36%	0.357	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-35.8	173.2	-156.4	-91.4	0	0	0	111.9	F353 A360 N361 R377 F385	F353-Y357 PolarHBondContact O-N 3.35Å; Y357-A360 WeakPolarHBondContact O-CB 3.45Å; Y357-A360 PolarHBondContact O-N 3.24Å; Y357-N361 PolarHBondContact O-N 3.34Å; Y357-N361 PolarHBondContact O-ND2 2.91Å; Y357-R377 PolarHBondContact OH-NH2 3.16Å; Y357-F385 HydrophobicContact CD2-CE2 4.32Å
358	G	93.6	Very high	94.2	Very high	39 Å²	39	63.3 Å²	63.3	40%	0.402	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-43.4	173.6	0	0	0	0	0	113.1	A354 E355 Q356 A360 N361	A354-G358 WeakPolarHBondContact O-CA 3.47Å; A354-G358 PolarHBondContact O-N 3.36Å; E355-G358 PolarHBondContact O-N 3.5Å; Q356-G358 VanDerWaalsContact C-N 3.28Å; Q356-G358 PolarHBondContact O-N 3.42Å; G358-A360 VanDerWaalsContact C-N 3.3Å; G358-A360 PolarHBondContact O-N 2.92Å; G358-N361 WeakPolarHBondContact O-CB 3.4Å; G358-N361 PolarHBondContact O-N 3.41Å; G358-N361 VanDerWaalsContact O-N 3.14Å
359	K	93.3	Very high	94.1	Very high	61 Å²	61	70 Å²	70	27%	0.265	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-42.6	173.2	-68.1	167.4	-168.9	164.3	0	111.3	E355 Q356 N361 F362 Y384 H523	E355-K359 WeakPolarHBondContact O-CG 3.07Å; E355-K359 PolarHBondContact O-N 2.93Å; E355-K359 WeakPolarHBondContact OE1-CE 3.48Å; E355-K359 IonicContact OE1-NZ 3.34Å; E355-K359 PolarHBondContact OE1-NZ 3Å; Q356-K359 PolarHBondContact O-N 2.62Å; K359-N361 VanDerWaalsContact C-N 3.28Å; K359-N361 PolarHBondContact O-N 2.84Å; K359-F362 WeakPolarHBondContact O-CB 3.32Å; K359-F362 PolarHBondContact O-N 2.84Å; K359-Y384 HydrophobicContact CB-CD2 4.12Å; K359-Y384 HydrophobicContact CB-CE1 4.29Å; K359-Y384 HydrophobicContact CB-CE2 3.88Å; K359-Y384 HydrophobicContact CB-CG 4.44Å; K359-H523 PolarHBondContact NZ-CD2 2.9Å; K359-H523 PolarHBondContact NZ-NE2 2.81Å
360	A	93	Very high	94.1	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-64.5	-28.1	177.5	0	0	0	0	0	114	Q356 Y357 G358 F362 W363 V381 Y384	Q356-A360 PolarHBondContact O-N 3.04Å; Y357-A360 WeakPolarHBondContact O-CB 3.45Å; Y357-A360 PolarHBondContact O-N 3.24Å; G358-A360 VanDerWaalsContact C-N 3.3Å; G358-A360 PolarHBondContact O-N 2.92Å; A360-F362 PolarHBondContact O-N 2.89Å; A360-W363 WeakPolarHBondContact O-CB 3.43Å; A360-W363 PolarHBondContact O-N 3.16Å; A360-V381 HydrophobicContact CB-CB 4.32Å; A360-V381 HydrophobicContact CB-CG2 3.47Å; A360-V381 VanDerWaalsContact CB-CG2 3.47Å; A360-Y384 HydrophobicContact CB-CD2 3.98Å; A360-Y384 HydrophobicContact CB-CE2 4.29Å
361	N	92.2	Very high	94.2	Very high	65 Å²	65	72 Å²	72	35%	0.348	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-68.4	-12.9	180	-71.8	-30.6	0	0	0	114.1	Y357 G358 K359 W363 Y364 R377	Y357-N361 PolarHBondContact O-N 3.34Å; Y357-N361 PolarHBondContact O-ND2 2.91Å; G358-N361 WeakPolarHBondContact O-CB 3.4Å; G358-N361 PolarHBondContact O-N 3.41Å; G358-N361 VanDerWaalsContact O-N 3.14Å; K359-N361 VanDerWaalsContact C-N 3.28Å; K359-N361 PolarHBondContact O-N 2.84Å; N361-W363 PolarHBondContact O-N 3.36Å; N361-Y364 WeakPolarHBondContact O-CB 3.22Å; N361-Y364 PolarHBondContact O-N 3.39Å; N361-R377 PolarHBondContact OD1-NE 2.84Å; N361-R377 PolarHBondContact OD1-NH2 3.2Å
362	F	94.2	Very high	94.3	Very high	93 Å²	93	73 Å²	73	41%	0.408	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-52.4	-37.9	165.2	170.9	-94.1	0	0	0	111.9	K359 A360 Y364 Q365 F368 L373	K359-F362 WeakPolarHBondContact O-CB 3.32Å; K359-F362 PolarHBondContact O-N 2.84Å; A360-F362 PolarHBondContact O-N 2.89Å; F362-Y364 PolarHBondContact O-N 2.91Å; F362-Q365 WeakPolarHBondContact O-CG 3.46Å; F362-Q365 PolarHBondContact O-NE2 2.99Å; F362-F368 HydrophobicContact CE2-CD2 4.45Å; F362-F368 HydrophobicContact CE2-CE2 4Å; F362-F368 HydrophobicContact CZ-CD2 4.35Å; F362-F368 AromaticContact CZ-CE2 3.9Å; F362-F368 HydrophobicContact CZ-CE2 3.9Å; F362-F368 HydrophobicContact CZ-CZ 4.01Å; F362-L373 HydrophobicContact CE1-CD1 3.97Å; F362-L373 HydrophobicContact CZ-CD1 4.3Å
363	W	95.6	Very high	94.4	Very high	62 Å²	62	73.6 Å²	73.6	24%	0.235	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-79	-1.4	-179.9	-59.3	93.8	0	0	0	113.5	A360 N361 Q365 L373 T374 L376 R377 A380	A360-W363 WeakPolarHBondContact O-CB 3.43Å; A360-W363 PolarHBondContact O-N 3.16Å; N361-W363 PolarHBondContact O-N 3.36Å; W363-Q365 VanDerWaalsContact C-N 3.25Å; W363-Q365 PolarHBondContact O-N 2.74Å; W363-L373 HydrophobicContact CE3-CB 4.26Å; W363-L373 HydrophobicContact CE3-CD1 4.25Å; W363-L373 CarbonylContact O-C 3.1Å; W363-L373 WeakPolarHBondContact O-CB 3.42Å; W363-L373 VanDerWaalsContact O-O 3.13Å; W363-T374 VanDerWaalsContact O-CA 3.22Å; W363-T374 WeakPolarHBondContact O-CA 3.45Å; W363-T374 PolarHBondContact O-N 3.45Å; W363-L376 HydrophobicContact CD2-CB 4.39Å; W363-L376 HydrophobicContact CE3-CB 3.81Å; W363-L376 HydrophobicContact CE3-CD1 3.97Å; W363-L376 HydrophobicContact CH2-CD1 4.45Å; W363-L376 HydrophobicContact CZ3-CB 4.27Å; W363-L376 HydrophobicContact CZ3-CD1 3.6Å; W363-R377 HydrophobicContact CB-CB 4.11Å; W363-A380 HydrophobicContact CD2-CB 4.37Å; W363-A380 HydrophobicContact CG-CB 3.82Å
364	Y	93	Very high	94.4	Very high	147 Å²	147	74.4 Å²	74.4	58%	0.576	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-88.4	14.3	178.3	-153.4	-135.8	0	0	0	113.6	N361 F362 T374	N361-Y364 WeakPolarHBondContact O-CB 3.22Å; N361-Y364 PolarHBondContact O-N 3.39Å; F362-Y364 PolarHBondContact O-N 2.91Å; Y364-T374 HydrophobicContact CD2-CG2 3.83Å; Y364-T374 HydrophobicContact CE2-CG2 4.27Å
365	Q	94.3	Very high	94.5	Very high	75 Å²	75	76.6 Å²	76.6	35%	0.35	41%	0.406	S	S	.	.			trans	-83.1	116.7	179.1	-68.8	176.4	87.7	0	0	111.6	F362 W363 S367 F368 L373	F362-Q365 WeakPolarHBondContact O-CG 3.46Å; F362-Q365 PolarHBondContact O-NE2 2.99Å; W363-Q365 VanDerWaalsContact C-N 3.25Å; W363-Q365 PolarHBondContact O-N 2.74Å; Q365-S367 VanDerWaalsContact C-N 3.28Å; Q365-S367 PolarHBondContact O-N 2.89Å; Q365-F368 HydrophobicContact CB-CB 4.08Å; Q365-L373 PolarHBondContact O-N 2.89Å
366	Q	95.1	Very high	94.6	Very high	148 Å²	148	78 Å²	78	69%	0.692	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.7	177.2	-68	176.4	-13.2	0	0	114.4	D372 T374	Q366-D372 WeakPolarHBondContact O-CA 3.39Å; Q366-T374 HydrophobicContact CG-CG2 3.92Å
367	S	94.3	Very high	94.6	Very high	88 Å²	88	79.4 Å²	79.4	62%	0.615	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.5	47.1	-177	-163.1	0	0	0	0	112.4	Q365 H369 G370 M371	Q365-S367 VanDerWaalsContact C-N 3.28Å; Q365-S367 PolarHBondContact O-N 2.89Å; S367-H369 PolarHBondContact O-N 3.41Å; S367-G370 PolarHBondContact O-N 3.13Å; S367-M371 CarbonylContact C-O 3.45Å; S367-M371 WeakPolarHBondContact CA-O 3.14Å; S367-M371 PolarHBondContact N-O 3.11Å
368	F	94.3	Very high	94.7	Very high	71 Å²	71	80.6 Å²	80.6	31%	0.311	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-65.2	103.4	170.9	179.6	-105	0	0	0	109.2	F362 Q365 G370 M371 L373	F362-F368 HydrophobicContact CE2-CD2 4.45Å; F362-F368 HydrophobicContact CE2-CE2 4Å; F362-F368 HydrophobicContact CZ-CD2 4.35Å; F362-F368 AromaticContact CZ-CE2 3.9Å; F362-F368 HydrophobicContact CZ-CE2 3.9Å; F362-F368 HydrophobicContact CZ-CZ 4.01Å; Q365-F368 HydrophobicContact CB-CB 4.08Å; F368-G370 PolarHBondContact O-N 2.63Å; F368-G370 VanDerWaalsContact O-N 3.15Å; F368-M371 PolarHBondContact N-O 3.27Å; F368-M371 WeakPolarHBondContact O-CB 3.24Å; F368-M371 PolarHBondContact O-N 2.81Å; F368-L373 HydrophobicContact CB-CD1 3.62Å; F368-L373 HydrophobicContact CB-CG 3.8Å; F368-L373 HydrophobicContact CD1-CD1 3.82Å; F368-L373 HydrophobicContact CD1-CD2 4.38Å; F368-L373 HydrophobicContact CD1-CG 4.36Å; F368-L373 HydrophobicContact CD2-CD1 4.43Å; F368-L373 HydrophobicContact CG-CD1 3.71Å; F368-L373 HydrophobicContact CG-CG 4.32Å
369	H	94.6	Very high	94.8	Very high	182 Å²	182	81.6 Å²	81.6	84%	0.843	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	32.2	-169.7	-62.6	-85.9	0	0	0	114	S367	S367-H369 PolarHBondContact O-N 3.41Å
370	G	94.9	Very high	94.8	Very high	64 Å²	64	79.1 Å²	79.1	66%	0.66	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	7.3	-176.4	0	0	0	0	0	115.5	S367 F368	S367-G370 PolarHBondContact O-N 3.13Å; F368-G370 PolarHBondContact O-N 2.63Å; F368-G370 VanDerWaalsContact O-N 3.15Å
371	M	95.5	Very high	94.9	Very high	122 Å²	122	80.4 Å²	80.4	60%	0.601	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-107.3	136.5	173.5	-174.5	-177.3	-65.6	0	0	111.1	S367 F368 L373	S367-M371 CarbonylContact C-O 3.45Å; S367-M371 WeakPolarHBondContact CA-O 3.14Å; S367-M371 PolarHBondContact N-O 3.11Å; F368-M371 PolarHBondContact N-O 3.27Å; F368-M371 WeakPolarHBondContact O-CB 3.24Å; F368-M371 PolarHBondContact O-N 2.81Å; M371-L373 HydrophobicContact CG-CD2 4.2Å; M371-L373 HydrophobicContact SD-CD2 3.9Å
372	D	95.9	Very high	95	Very high	88 Å²	88	81 Å²	81	47%	0.471	44%	0.442	S	S	.	.			trans	-81.4	120.2	168.3	-173.1	-7.3	0	0	0	110	Q366 T374	Q366-D372 WeakPolarHBondContact O-CA 3.39Å; D372-T374 VanDerWaalsContact CG-OG1 3.31Å; D372-T374 VanDerWaalsContact OD1-CB 3.24Å; D372-T374 WeakPolarHBondContact OD1-CB 3.45Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.37Å; D372-T374 PolarHBondContact OD1-N 3.35Å; D372-T374 PolarHBondContact OD1-OG1 3.24Å; D372-T374 PolarHBondContact OD2-OG1 2.97Å
373	L	97	Very high	95	Very high	14 Å²	14	81.8 Å²	81.8	7%	0.073	45%	0.447	C	S	.	.			trans	-95.3	-9.8	178	-61.5	-173.5	0	0	0	113.6	F362 W363 Q365 F368 M371 A375 L376	F362-L373 HydrophobicContact CE1-CD1 3.97Å; F362-L373 HydrophobicContact CZ-CD1 4.3Å; W363-L373 HydrophobicContact CE3-CB 4.26Å; W363-L373 HydrophobicContact CE3-CD1 4.25Å; W363-L373 CarbonylContact O-C 3.1Å; W363-L373 WeakPolarHBondContact O-CB 3.42Å; W363-L373 VanDerWaalsContact O-O 3.13Å; Q365-L373 PolarHBondContact O-N 2.89Å; F368-L373 HydrophobicContact CB-CD1 3.62Å; F368-L373 HydrophobicContact CB-CG 3.8Å; F368-L373 HydrophobicContact CD1-CD1 3.82Å; F368-L373 HydrophobicContact CD1-CD2 4.38Å; F368-L373 HydrophobicContact CD1-CG 4.36Å; F368-L373 HydrophobicContact CD2-CD1 4.43Å; F368-L373 HydrophobicContact CG-CD1 3.71Å; F368-L373 HydrophobicContact CG-CG 4.32Å; M371-L373 HydrophobicContact CG-CD2 4.2Å; M371-L373 HydrophobicContact SD-CD2 3.9Å; L373-A375 PolarHBondContact O-N 2.83Å; L373-L376 PolarHBondContact O-N 3.14Å
374	T	96.3	Very high	95	Very high	39 Å²	39	80.9 Å²	80.9	24%	0.239	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.6	-166.2	58.4	0	0	0	0	113.6	W363 Y364 Q366 D372 L376 R377	W363-T374 VanDerWaalsContact O-CA 3.22Å; W363-T374 WeakPolarHBondContact O-CA 3.45Å; W363-T374 PolarHBondContact O-N 3.45Å; Y364-T374 HydrophobicContact CD2-CG2 3.83Å; Y364-T374 HydrophobicContact CE2-CG2 4.27Å; Q366-T374 HydrophobicContact CG-CG2 3.92Å; D372-T374 VanDerWaalsContact CG-OG1 3.31Å; D372-T374 VanDerWaalsContact OD1-CB 3.24Å; D372-T374 WeakPolarHBondContact OD1-CB 3.45Å; D372-T374 WeakPolarHBondContact OD1-CG2 3.37Å; D372-T374 PolarHBondContact OD1-N 3.35Å; D372-T374 PolarHBondContact OD1-OG1 3.24Å; D372-T374 PolarHBondContact OD2-OG1 2.97Å; T374-L376 PolarHBondContact O-N 2.82Å; T374-R377 WeakPolarHBondContact O-CB 3.45Å; T374-R377 PolarHBondContact O-N 2.8Å; T374-R377 VanDerWaalsContact O-N 3.09Å
375	A	96.4	Very high	95.1	Very high	96 Å²	96	74.2 Å²	74.2	79%	0.793	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-56.6	-27.2	174.9	0	0	0	0	0	114.2	L373	L373-A375 PolarHBondContact O-N 2.83Å
376	L	96.7	Very high	95.1	Very high	91 Å²	91	73 Å²	73	48%	0.476	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-93	-9.6	179.3	-66.7	176.4	0	0	0	113.8	W363 L373 T374 N378 A379 A380	W363-L376 HydrophobicContact CD2-CB 4.39Å; W363-L376 HydrophobicContact CE3-CB 3.81Å; W363-L376 HydrophobicContact CE3-CD1 3.97Å; W363-L376 HydrophobicContact CH2-CD1 4.45Å; W363-L376 HydrophobicContact CZ3-CB 4.27Å; W363-L376 HydrophobicContact CZ3-CD1 3.6Å; L373-L376 PolarHBondContact O-N 3.14Å; T374-L376 PolarHBondContact O-N 2.82Å; L376-N378 PolarHBondContact O-N 3.02Å; L376-A379 WeakPolarHBondContact O-CB 3.33Å; L376-A379 PolarHBondContact O-N 3.19Å; L376-A379 VanDerWaalsContact O-N 3.13Å; L376-A380 PolarHBondContact O-N 3.19Å
377	R	94.3	Very high	95.2	Very high	32 Å²	32	67.1 Å²	67.1	12%	0.121	39%	0.387	C	S	.	.	H	α-helix	trans	-55.7	-45.9	-175.1	-179.1	177.5	-177.1	-87.9	3	113.1	Y357 N361 W363 T374 A379 A380 V381	Y357-R377 PolarHBondContact OH-NH2 3.16Å; N361-R377 PolarHBondContact OD1-NE 2.84Å; N361-R377 PolarHBondContact OD1-NH2 3.2Å; W363-R377 HydrophobicContact CB-CB 4.11Å; T374-R377 WeakPolarHBondContact O-CB 3.45Å; T374-R377 PolarHBondContact O-N 2.8Å; T374-R377 VanDerWaalsContact O-N 3.09Å; R377-A379 VanDerWaalsContact C-N 3.31Å; R377-A379 PolarHBondContact O-N 3.01Å; R377-A380 PolarHBondContact O-N 3.05Å; R377-V381 HydrophobicContact CG-CG2 4.44Å; R377-V381 WeakPolarHBondContact O-CG2 3.46Å; R377-V381 PolarHBondContact O-N 2.61Å
378	N	93.9	Very high	95.4	Very high	115 Å²	115	63 Å²	63	62%	0.615	36%	0.357	S	S	*	.	H	α-helix	trans	-69.4	-31.9	-177	-66.5	-4.3	0	0	0	111.9	L376 T382	L376-N378 PolarHBondContact O-N 3.02Å; N378-T382 PolarHBondContact O-N 2.76Å; N378-T382 PolarHBondContact O-OG1 3.34Å
379	A	95.2	Very high	95.5	Very high	61 Å²	61	59.6 Å²	59.6	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-67.6	-41.8	171.5	0	0	0	0	0	111.3	L376 R377 T382 E383	L376-A379 WeakPolarHBondContact O-CB 3.33Å; L376-A379 PolarHBondContact O-N 3.19Å; L376-A379 VanDerWaalsContact O-N 3.13Å; R377-A379 VanDerWaalsContact C-N 3.31Å; R377-A379 PolarHBondContact O-N 3.01Å; A379-T382 PolarHBondContact O-N 2.82Å; A379-E383 PolarHBondContact O-N 2.97Å
380	A	95.3	Very high	95.6	Very high	8 Å²	8	51 Å²	51	7%	0.066	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-39.9	177.1	0	0	0	0	0	113.3	W363 L376 R377 T382 E383 Y384	W363-A380 HydrophobicContact CD2-CB 4.37Å; W363-A380 HydrophobicContact CG-CB 3.82Å; L376-A380 PolarHBondContact O-N 3.19Å; R377-A380 PolarHBondContact O-N 3.05Å; A380-T382 VanDerWaalsContact C-N 3.34Å; A380-E383 PolarHBondContact O-N 3.16Å; A380-Y384 HydrophobicContact CB-CE2 4.25Å; A380-Y384 WeakPolarHBondContact O-CD2 3.25Å; A380-Y384 PolarHBondContact O-N 3.49Å
381	V	94.2	Very high	95.7	Very high	28 Å²	28	48.1 Å²	48.1	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-55.8	-51.8	170.7	173	0	0	0	0	109.4	A360 R377 E383 Y384 F385	A360-V381 HydrophobicContact CB-CB 4.32Å; A360-V381 HydrophobicContact CB-CG2 3.47Å; A360-V381 VanDerWaalsContact CB-CG2 3.47Å; R377-V381 HydrophobicContact CG-CG2 4.44Å; R377-V381 WeakPolarHBondContact O-CG2 3.46Å; R377-V381 PolarHBondContact O-N 2.61Å; V381-E383 VanDerWaalsContact C-N 3.34Å; V381-E383 PolarHBondContact O-N 2.96Å; V381-Y384 PolarHBondContact O-N 3.05Å; V381-F385 HydrophobicContact CG1-CD2 3.92Å; V381-F385 HydrophobicContact CG1-CE2 4.3Å; V381-F385 WeakPolarHBondContact O-CB 3.3Å; V381-F385 WeakPolarHBondContact O-CD2 3.38Å; V381-F385 PolarHBondContact O-N 2.65Å
382	T	93.8	Very high	95.7	Very high	77 Å²	77	43.5 Å²	43.5	47%	0.472	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-43.1	177.6	-54.8	0	0	0	0	112	N378 A379 A380 F385 N386	N378-T382 PolarHBondContact O-N 2.76Å; N378-T382 PolarHBondContact O-OG1 3.34Å; A379-T382 PolarHBondContact O-N 2.82Å; A380-T382 VanDerWaalsContact C-N 3.34Å; T382-F385 PolarHBondContact O-N 3.22Å; T382-N386 VanDerWaalsContact O-CB 3.25Å; T382-N386 WeakPolarHBondContact O-CB 3.29Å; T382-N386 PolarHBondContact O-N 3.14Å; T382-N386 PolarHBondContact O-ND2 2.77Å; T382-N386 PolarHBondContact O-OD1 3.15Å; T382-N386 VanDerWaalsContact O-OD1 3.09Å
383	E	94.5	Very high	95.7	Very high	109 Å²	109	39.7 Å²	39.7	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-59.4	-50.5	178.3	-171.8	173.4	117.7	0	0	111.9	A379 A380 V381 N386 Q387	A379-E383 PolarHBondContact O-N 2.97Å; A380-E383 PolarHBondContact O-N 3.16Å; V381-E383 VanDerWaalsContact C-N 3.34Å; V381-E383 PolarHBondContact O-N 2.96Å; E383-N386 PolarHBondContact O-N 3.39Å; E383-Q387 WeakPolarHBondContact O-CG 3.23Å
384	Y	95	Very high	95.6	Very high	44 Å²	44	41.7 Å²	41.7	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-66.3	-39.6	179.5	-66	-56	0	0	0	112.9	K359 A360 A380 V381 N386 Q387	K359-Y384 HydrophobicContact CB-CD2 4.12Å; K359-Y384 HydrophobicContact CB-CE1 4.29Å; K359-Y384 HydrophobicContact CB-CE2 3.88Å; K359-Y384 HydrophobicContact CB-CG 4.44Å; A360-Y384 HydrophobicContact CB-CD2 3.98Å; A360-Y384 HydrophobicContact CB-CE2 4.29Å; A380-Y384 HydrophobicContact CB-CE2 4.25Å; A380-Y384 WeakPolarHBondContact O-CD2 3.25Å; A380-Y384 PolarHBondContact O-N 3.49Å; V381-Y384 PolarHBondContact O-N 3.05Å; Y384-N386 PolarHBondContact O-N 3.1Å; Y384-Q387 PolarHBondContact O-N 3.26Å
385	F	95.5	Very high	95.4	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-75.2	-12.2	178.6	-84.1	-94.6	0	0	0	113.8	F353 Q356 Y357 V381 T382 L471 L472 N515	F353-F385 HydrophobicContact CD1-CZ 4.36Å; F353-F385 AromaticContact CD2-CE1 3.57Å; F353-F385 HydrophobicContact CD2-CE1 3.57Å; F353-F385 AromaticContact CD2-CZ 3.92Å; F353-F385 HydrophobicContact CD2-CZ 3.92Å; F353-F385 HydrophobicContact CE1-CZ 4.14Å; F353-F385 HydrophobicContact CE2-CD1 4.4Å; F353-F385 AromaticContact CE2-CE1 3.31Å; F353-F385 HydrophobicContact CE2-CE1 3.31Å; F353-F385 AromaticContact CE2-CZ 3.7Å; F353-F385 HydrophobicContact CE2-CZ 3.7Å; F353-F385 HydrophobicContact CG-CE1 4.31Å; F353-F385 HydrophobicContact CG-CZ 4.23Å; F353-F385 AromaticContact CZ-CE1 3.84Å; F353-F385 HydrophobicContact CZ-CE1 3.84Å; F353-F385 AromaticContact CZ-CZ 3.78Å; F353-F385 HydrophobicContact CZ-CZ 3.78Å; Q356-F385 HydrophobicContact CB-CD2 4.39Å; Q356-F385 HydrophobicContact CB-CE2 3.88Å; Q356-F385 HydrophobicContact CB-CZ 4.13Å; Y357-F385 HydrophobicContact CD2-CE2 4.32Å; V381-F385 HydrophobicContact CG1-CD2 3.92Å; V381-F385 HydrophobicContact CG1-CE2 4.3Å; V381-F385 WeakPolarHBondContact O-CB 3.3Å; V381-F385 WeakPolarHBondContact O-CD2 3.38Å; V381-F385 PolarHBondContact O-N 2.65Å; T382-F385 PolarHBondContact O-N 3.22Å; F385-L471 HydrophobicContact CD1-CB 3.73Å; F385-L471 HydrophobicContact CD1-CD1 4.08Å; F385-L471 HydrophobicContact CE1-CB 3.91Å; F385-L471 HydrophobicContact CE1-CD1 3.79Å; F385-L471 HydrophobicContact CE1-CG 4.39Å; F385-L471 HydrophobicContact CZ-CD1 4.38Å; F385-L472 VanDerWaalsContact CD1-O 3.32Å; F385-L472 WeakPolarHBondContact CD1-O 3.46Å; F385-L472 WeakPolarHBondContact CE1-O 3.32Å; F385-N515 PolarHBondContact O-ND2 2.95Å
386	N	95.3	Very high	95.3	Very high	49 Å²	49	40.9 Å²	40.9	26%	0.262	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.8	172.2	-68.8	4.2	0	0	0	113.2	T382 E383 Y384 P388 N515 S516 L517 D518	T382-N386 VanDerWaalsContact O-CB 3.25Å; T382-N386 WeakPolarHBondContact O-CB 3.29Å; T382-N386 PolarHBondContact O-N 3.14Å; T382-N386 PolarHBondContact O-ND2 2.77Å; T382-N386 PolarHBondContact O-OD1 3.15Å; T382-N386 VanDerWaalsContact O-OD1 3.09Å; E383-N386 PolarHBondContact O-N 3.39Å; Y384-N386 PolarHBondContact O-N 3.1Å; N386-P388 WeakPolarHBondContact O-CD 3.22Å; N386-N515 PolarHBondContact OD1-OD1 2.86Å; N386-S516 PolarHBondContact ND2-O 2.85Å; N386-S516 PolarHBondContact OD1-O 2.79Å; N386-L517 CarbonylContact O-C 3.56Å; N386-L517 VanDerWaalsContact O-CA 3.24Å; N386-L517 WeakPolarHBondContact O-CA 3.48Å; N386-L517 WeakPolarHBondContact O-CB 3.33Å; N386-D518 PolarHBondContact O-N 3.39Å
387	Q	96.4	Very high	95.2	Very high	25 Å²	25	37.5 Å²	37.5	12%	0.117	22%	0.215	C	C	.	.	S	Bend	trans	-90.1	120.6	175.3	-56.5	-163.3	-90.7	0	0	111.1	E383 Y384 I389 N521 H523	E383-Q387 WeakPolarHBondContact O-CG 3.23Å; Y384-Q387 PolarHBondContact O-N 3.26Å; Q387-I389 PolarHBondContact O-N 2.68Å; Q387-N521 PolarHBondContact NE2-ND2 3.33Å; Q387-N521 PolarHBondContact NE2-O 2.83Å; Q387-N521 PolarHBondContact NE2-OD1 2.87Å; Q387-H523 HydrophobicContact CB-CB 4.17Å
388	P	97.7	Very high	95.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-65	131.2	166.7	-21.4	35.4	0	0	0	110.3	N386 V468 L517 D518 L519 P522 H523	N386-P388 WeakPolarHBondContact O-CD 3.22Å; P388-V468 HydrophobicContact CB-CG1 3.59Å; P388-L517 HydrophobicContact CG-CB 4.04Å; P388-L517 HydrophobicContact CG-CD2 4.26Å; P388-D518 VanDerWaalsContact CD-O 3.32Å; P388-D518 WeakPolarHBondContact CD-O 3.41Å; P388-L519 HydrophobicContact CB-CD1 4.34Å; P388-L519 HydrophobicContact CG-CD1 4.16Å; P388-P522 CarbonylContact O-C 3.48Å; P388-P522 WeakPolarHBondContact O-CA 3.5Å; P388-P522 WeakPolarHBondContact O-CB 3.5Å; P388-H523 PolarHBondContact O-N 2.91Å
389	I	97.6	Very high	95.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.4	-174.1	-56.1	-177.3	0	0	0	109.2	L352 Q356 Q387 V468 R469 L471 H523 R525	L352-I389 HydrophobicContact CD1-CD1 3.73Å; L352-I389 HydrophobicContact CD1-CG2 4.27Å; L352-I389 HydrophobicContact CD2-CD1 4.17Å; L352-I389 HydrophobicContact CG-CD1 4.05Å; Q356-I389 HydrophobicContact CG-CD1 3.84Å; Q387-I389 PolarHBondContact O-N 2.68Å; I389-V468 CarbonylContact O-C 3.57Å; I389-V468 WeakPolarHBondContact O-CA 3.33Å; I389-R469 PolarHBondContact N-O 2.98Å; I389-R469 PolarHBondContact O-N 2.87Å; I389-L471 HydrophobicContact CD1-CD1 3.9Å; I389-L471 HydrophobicContact CD1-CG 4.43Å; I389-H523 WeakPolarHBondContact CA-O 3.49Å; I389-H523 HydrophobicContact CG1-CB 4.47Å; I389-R525 HydrophobicContact CG2-CB 3.68Å; I389-R525 HydrophobicContact CG2-CG 4.35Å
390	V	97.4	Very high	95.5	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	101.6	-179	-177.4	0	0	0	0	108.9	Y242 Y466 V468 P522 H523 F524 R525 Y526	Y242-V390 HydrophobicContact CD1-CG1 4.23Å; Y242-V390 HydrophobicContact CD1-CG2 4.38Å; Y242-V390 HydrophobicContact CE1-CG1 4.02Å; Y242-V390 HydrophobicContact CG-CG2 4.48Å; V390-Y466 HydrophobicContact CG1-CD2 3.82Å; V390-Y466 HydrophobicContact CG1-CG 4.18Å; V390-V468 HydrophobicContact CG2-CG2 4.33Å; V390-P522 HydrophobicContact CG2-CB 3.79Å; V390-H523 PolarHBondContact N-O 2.72Å; V390-F524 HydrophobicContact CB-CD1 3.8Å; V390-F524 HydrophobicContact CB-CE1 3.99Å; V390-F524 HydrophobicContact CG1-CD1 3.88Å; V390-F524 HydrophobicContact CG1-CE1 3.9Å; V390-F524 HydrophobicContact CG2-CD1 4.4Å; V390-F524 HydrophobicContact CG2-CE1 4.18Å; V390-R525 PolarHBondContact O-N 2.76Å; V390-Y526 PolarHBondContact O-N 3.3Å
391	D	96.2	Very high	95.5	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	-168.4	174.1	67.7	3.4	0	0	0	111.3	Y466 Q467 R469 R525	D391-Y466 WeakPolarHBondContact O-CB 3.27Å; D391-Q467 PolarHBondContact N-O 3.16Å; D391-Q467 CarbonylContact O-C 3.55Å; D391-Q467 PolarHBondContact O-N 3.1Å; D391-R469 VanDerWaalsContact CG-NH2 3.28Å; D391-R469 IonicContact OD1-CZ 3.31Å; D391-R469 VanDerWaalsContact OD1-CZ 3.32Å; D391-R469 IonicContact OD1-NE 3.72Å; D391-R469 PolarHBondContact OD1-NE 3.02Å; D391-R469 IonicContact OD1-NH2 3.57Å; D391-R469 PolarHBondContact OD1-NH2 2.94Å; D391-R469 IonicContact OD2-CZ 3.75Å; D391-R469 IonicContact OD2-NH2 2.92Å; D391-R469 PolarHBondContact OD2-NH2 3.13Å; D391-R525 HydrophobicContact CB-CB 4.03Å; D391-R525 HydrophobicContact CB-CG 4.42Å; D391-R525 WeakPolarHBondContact OD2-CD 3.5Å; D391-R525 IonicContact OD2-CZ 2.71Å; D391-R525 IonicContact OD2-NE 2.71Å; D391-R525 IonicContact OD2-NH1 3.44Å; D391-R525 PolarHBondContact OD2-NH1 2.8Å
392	T	96	Very high	95.7	Very high	26 Å²	26	36.1 Å²	36.1	16%	0.16	20%	0.204	C	C	.	.			trans	-127.2	152.7	175.9	-172.1	0	0	0	0	110	L462 Q467 Y526 P531	T392-L462 HydrophobicContact CG2-CD1 4.13Å; T392-L462 HydrophobicContact CG2-CD2 4.22Å; T392-Q467 VanDerWaalsContact CA-OE1 3.26Å; T392-Q467 PolarHBondContact OG1-OE1 3.35Å; T392-Y526 HydrophobicContact CG2-CD2 3.92Å; T392-Y526 HydrophobicContact CG2-CE2 3.89Å; T392-P531 HydrophobicContact CG2-CG 4.09Å
393	F	95.1	Very high	95.9	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.031	19%	0.19	C	C	.	.			trans	-145.9	157.9	-167.9	59.4	-92.2	0	0	0	111.5	I397 A438 W440 P458 Q467 R469	F393-I397 HydrophobicContact CB-CD1 3.92Å; F393-I397 HydrophobicContact CD2-CD1 3.78Å; F393-I397 HydrophobicContact CD2-CG1 3.96Å; F393-I397 HydrophobicContact CG-CD1 4.04Å; F393-A438 HydrophobicContact CE1-CB 3.88Å; F393-A438 HydrophobicContact CE2-CB 4.27Å; F393-A438 HydrophobicContact CZ-CB 3.53Å; F393-W440 HydrophobicContact CZ-CE3 4.27Å; F393-W440 HydrophobicContact CZ-CZ3 4.19Å; F393-P458 HydrophobicContact CD2-CB 4.38Å; F393-P458 HydrophobicContact CE2-CB 4.09Å; F393-P458 HydrophobicContact CE2-CG 3.83Å; F393-P458 HydrophobicContact CZ-CB 4.19Å; F393-P458 HydrophobicContact CZ-CG 3.91Å; F393-P458 WeakPolarHBondContact O-CB 3.39Å; F393-Q467 HydrophobicContact CD1-CB 4.22Å; F393-Q467 HydrophobicContact CE1-CB 3.56Å; F393-Q467 HydrophobicContact CE1-CG 4.03Å; F393-Q467 HydrophobicContact CZ-CB 4.43Å; F393-R469 VanDerWaalsContact CD1-CD 3.47Å; F393-R469 HydrophobicContact CD1-CG 3.95Å; F393-R469 HydrophobicContact CE1-CG 3.94Å
394	D	94.2	Very high	96	Very high	57 Å²	57	32 Å²	32	31%	0.305	18%	0.184	S	C	.	.			trans	-76.2	128.6	174.4	-174	-69.9	0	0	0	110	G396 I397 P531	D394-G396 PolarHBondContact O-N 3.43Å; D394-G396 WeakPolarHBondContact OD1-CA 3.08Å; D394-G396 PolarHBondContact OD1-N 2.97Å; D394-I397 WeakPolarHBondContact O-CG1 3.17Å; D394-I397 PolarHBondContact O-N 3.42Å; D394-I397 VanDerWaalsContact O-N 3.16Å; D394-P531 HydrophobicContact CB-CB 4.16Å
395	I	93.6	Very high	96.2	Very high	70 Å²	70	32 Å²	32	36%	0.359	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-60.1	-20.5	-176.1	-170.5	55.8	0	0	0	113.7	I397 C398 W440 P458 T459	I395-I397 PolarHBondContact O-N 3.06Å; I395-I397 VanDerWaalsContact O-N 3.16Å; I395-C398 HydrophobicContact CD1-CB 4.29Å; I395-C398 WeakPolarHBondContact O-CB 3.5Å; I395-C398 PolarHBondContact O-N 2.94Å; I395-C398 VanDerWaalsContact O-N 3.16Å; I395-W440 HydrophobicContact CD1-CH2 4.11Å; I395-P458 HydrophobicContact CB-CG 4.45Å; I395-P458 HydrophobicContact CD1-CG 4.01Å; I395-T459 HydrophobicContact CB-CG2 4.11Å; I395-T459 HydrophobicContact CG1-CG2 4.25Å; I395-T459 HydrophobicContact CG2-CG2 3.93Å
396	G	93.4	Very high	96.3	Very high	48 Å²	48	38.9 Å²	38.9	50%	0.495	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-65	-12.1	176.5	0	0	0	0	0	114.9	D394 C398 P534	D394-G396 PolarHBondContact O-N 3.43Å; D394-G396 WeakPolarHBondContact OD1-CA 3.08Å; D394-G396 PolarHBondContact OD1-N 2.97Å; G396-C398 PolarHBondContact O-N 3.22Å; G396-P534 VanDerWaalsContact O-CG 3.3Å; G396-P534 WeakPolarHBondContact O-CG 3.45Å
397	I	95.1	Very high	96.4	Very high	19 Å²	19	37 Å²	37	10%	0.097	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-75.7	-5.8	173.2	74.2	172.5	0	0	0	113.2	F347 S348 D349 F393 D394 I395 P399 P534	F347-I397 WeakPolarHBondContact CA-O 3.05Å; F347-I397 HydrophobicContact CB-CD1 3.89Å; F347-I397 HydrophobicContact CB-CG1 3.96Å; F347-I397 HydrophobicContact CD2-CD1 4.14Å; F347-I397 HydrophobicContact CG-CD1 4.28Å; S348-I397 PolarHBondContact N-O 3.5Å; D349-I397 HydrophobicContact CB-CD1 4.3Å; F393-I397 HydrophobicContact CB-CD1 3.92Å; F393-I397 HydrophobicContact CD2-CD1 3.78Å; F393-I397 HydrophobicContact CD2-CG1 3.96Å; F393-I397 HydrophobicContact CG-CD1 4.04Å; D394-I397 WeakPolarHBondContact O-CG1 3.17Å; D394-I397 PolarHBondContact O-N 3.42Å; D394-I397 VanDerWaalsContact O-N 3.16Å; I395-I397 PolarHBondContact O-N 3.06Å; I395-I397 VanDerWaalsContact O-N 3.16Å; I397-P399 WeakPolarHBondContact O-CD 3.14Å; I397-P534 HydrophobicContact CG2-CG 4.08Å
398	C	96.4	Very high	96.4	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.115	21%	0.21	C	C	.	.			trans	-99.1	108.7	-175.2	-68.1	0	0	0	0	111.4	V345 P346 I395 G396 A400	V345-C398 HydrophobicContact CG1-CB 4.16Å; V345-C398 WeakPolarHBondContact CG1-SG 3.3Å; V345-C398 HydrophobicContact CG2-CB 3.9Å; P346-C398 WeakPolarHBondContact O-CA 3.37Å; P346-C398 PolarHBondContact O-SG 2.9Å; P346-C398 VanDerWaalsContact O-SG 3.4Å; I395-C398 HydrophobicContact CD1-CB 4.29Å; I395-C398 WeakPolarHBondContact O-CB 3.5Å; I395-C398 PolarHBondContact O-N 2.94Å; I395-C398 VanDerWaalsContact O-N 3.16Å; G396-C398 PolarHBondContact O-N 3.22Å; C398-A400 PolarHBondContact O-N 3.01Å; C398-A400 VanDerWaalsContact O-N 3.1Å
399	P	95.2	Very high	96.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	21%	0.21	C	C	.	.	S	Bend	trans	-85.7	29.1	-174.5	37.8	-38.1	0	0	0	112.8	P346 I397 I428 T429 T430 S432 I434	P346-P399 HydrophobicContact CG-CG 4.43Å; P346-P399 WeakPolarHBondContact O-CD 3.35Å; I397-P399 WeakPolarHBondContact O-CD 3.14Å; P399-I428 HydrophobicContact CB-CG2 4.45Å; P399-I428 CarbonylContact O-C 3.52Å; P399-I428 WeakPolarHBondContact O-CA 3.27Å; P399-T429 VanDerWaalsContact C-OG1 3.24Å; P399-T429 PolarHBondContact O-N 2.66Å; P399-T429 PolarHBondContact O-OG1 3.12Å; P399-T430 VanDerWaalsContact CB-OG1 3.26Å; P399-T430 WeakPolarHBondContact CB-OG1 3.37Å; P399-S432 VanDerWaalsContact CB-OG 3.26Å; P399-S432 WeakPolarHBondContact CB-OG 3.47Å; P399-S432 VanDerWaalsContact CG-OG 3.31Å; P399-S432 WeakPolarHBondContact CG-OG 3.28Å; P399-I434 HydrophobicContact CG-CD1 3.44Å; P399-I434 VanDerWaalsContact CG-CD1 3.44Å
400	A	96.8	Very high	96.1	Very high	11 Å²	11	40.2 Å²	40.2	9%	0.091	22%	0.219	C	C	.	.	S	Bend	trans	-162	163.5	-180	0	0	0	0	0	111	V345 P346 C398 Y426 I428	V345-A400 HydrophobicContact CG2-CB 4.43Å; V345-A400 VanDerWaalsContact CG2-O 3.26Å; V345-A400 WeakPolarHBondContact CG2-O 3.39Å; P346-A400 HydrophobicContact CG-CB 3.78Å; C398-A400 PolarHBondContact O-N 3.01Å; C398-A400 VanDerWaalsContact O-N 3.1Å; A400-Y426 HydrophobicContact CB-CD1 4.11Å; A400-Y426 HydrophobicContact CB-CG 4.33Å; A400-I428 HydrophobicContact CB-CD1 4.43Å
401	L	96.4	Very high	95.8	Very high	143 Å²	143	41 Å²	41	75%	0.749	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-74.8	148.6	165.4	-66.5	176.6	0	0	0	110.9	Y426	L401-Y426 WeakPolarHBondContact O-CD1 3.31Å
402	P	97.7	Very high	95.8	Very high	43 Å²	43	41.6 Å²	41.6	28%	0.279	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-71.3	138.5	-179.3	28.7	-35.4	0	0	0	113	Y343 I344 V345 W440	Y343-P402 HydrophobicContact CD1-CB 4.08Å; Y343-P402 HydrophobicContact CD1-CG 3.99Å; I344-P402 CarbonylContact O-C 3.59Å; I344-P402 VanDerWaalsContact O-CA 3.28Å; I344-P402 WeakPolarHBondContact O-CA 3.24Å; V345-P402 HydrophobicContact CB-CB 4.12Å; P402-W440 HydrophobicContact CB-CH2 4.04Å; P402-W440 HydrophobicContact CB-CZ2 4.08Å; P402-W440 HydrophobicContact CG-CH2 4.33Å; P402-W440 HydrophobicContact CG-CZ2 4.09Å
403	C	97.7	Very high	95.7	Very high	28 Å²	28	41.3 Å²	41.3	19%	0.189	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	142.6	161.4	-174.6	0	0	0	0	109.2	Y343 I344 L424 Y426	Y343-C403 CarbonylContact C-O 3.58Å; Y343-C403 WeakPolarHBondContact CA-O 3.39Å; I344-C403 PolarHBondContact N-O 2.84Å; I344-C403 PolarHBondContact O-N 2.82Å; C403-L424 HydrophobicContact CB-CD2 4.12Å; C403-Y426 HydrophobicContact CB-CE1 3.85Å
404	I	98.1	Very high	95.7	Very high	73 Å²	73	43.6 Å²	43.6	37%	0.374	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	107.5	-174.3	-45.4	178.6	0	0	0	110.7	N341 Y343 K406	N341-I404 HydrophobicContact CB-CG2 3.8Å; Y343-I404 HydrophobicContact CD1-CD1 4.08Å; Y343-I404 HydrophobicContact CD1-CG1 3.74Å; Y343-I404 HydrophobicContact CD1-CG2 4.36Å; Y343-I404 HydrophobicContact CE1-CD1 3.58Å; Y343-I404 HydrophobicContact CE1-CG1 3.75Å; Y343-I404 HydrophobicContact CE1-CG2 4.12Å; I404-K406 HydrophobicContact CG2-CG 4.05Å
405	H	98.1	Very high	95.7	Very high	44 Å²	44	45 Å²	45	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.7	171.3	-177.7	86.1	0	0	0	110.5	Y245 N341 L342 I422	Y245-H405 PolarHBondContact OH-CD2 2.83Å; Y245-H405 PolarHBondContact OH-NE2 3.36Å; N341-H405 CarbonylContact C-O 3.49Å; N341-H405 WeakPolarHBondContact CA-O 3.42Å; L342-H405 HydrophobicContact CB-CB 4.42Å; L342-H405 PolarHBondContact N-O 3.14Å; L342-H405 PolarHBondContact O-N 2.98Å; H405-I422 HydrophobicContact CB-CD1 3.87Å; H405-I422 HydrophobicContact CB-CG1 4.32Å; H405-I422 HydrophobicContact CB-CG2 3.83Å
406	K	98.1	Very high	95.8	Very high	150 Å²	150	44.1 Å²	44.1	65%	0.652	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.7	-173.2	-55.6	-169.5	179.2	179.3	0	112.2	A340 N341 I404	A340-K406 WeakPolarHBondContact O-CA 3.19Å; N341-K406 WeakPolarHBondContact OD1-CG 3.46Å; I404-K406 HydrophobicContact CG2-CG 4.05Å
407	V	97	Very high	95.9	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.7	174.5	-177.9	0	0	0	0	110	Y245 V339 A340 F409 V412	Y245-V407 HydrophobicContact CE1-CG2 4.32Å; Y245-V407 WeakPolarHBondContact OH-CG2 3.3Å; V339-V407 CarbonylContact C-O 3.53Å; V339-V407 WeakPolarHBondContact CA-O 3.47Å; V339-V407 WeakPolarHBondContact CB-O 3.37Å; A340-V407 PolarHBondContact N-O 2.63Å; A340-V407 PolarHBondContact O-N 2.85Å; V407-F409 HydrophobicContact CB-CE1 4.27Å; V407-F409 HydrophobicContact CG1-CD1 3.77Å; V407-F409 HydrophobicContact CG1-CE1 3.66Å; V407-V412 HydrophobicContact CG1-CB 4.09Å; V407-V412 HydrophobicContact CG1-CG1 3.99Å; V407-V412 HydrophobicContact CG1-CG2 4.15Å
408	D	95.9	Very high	95.9	Very high	39 Å²	39	43.2 Å²	43.2	21%	0.209	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.8	169.4	-176.7	-26.5	0	0	0	109.1	V339 R410 T411 V412	V339-D408 HydrophobicContact CG1-CB 4.19Å; D408-R410 PolarHBondContact O-N 2.87Å; D408-R410 VanDerWaalsContact O-N 3.16Å; D408-R410 WeakPolarHBondContact OD1-CA 3.4Å; D408-R410 WeakPolarHBondContact OD1-CB 3.47Å; D408-R410 WeakPolarHBondContact OD1-CG 3.37Å; D408-R410 IonicContact OD1-CZ 2.83Å; D408-R410 PolarHBondContact OD1-N 3.03Å; D408-R410 IonicContact OD1-NE 2.72Å; D408-R410 PolarHBondContact OD1-NE 3.04Å; D408-R410 IonicContact OD1-NH2 3.77Å; D408-R410 IonicContact OD2-CZ 3.94Å; D408-R410 IonicContact OD2-NE 2.74Å; D408-R410 PolarHBondContact OD2-NE 3.34Å; D408-R410 IonicContact OD2-NH2 2.65Å; D408-R410 PolarHBondContact OD2-NH2 3.38Å; D408-T411 PolarHBondContact O-N 3.16Å; D408-V412 WeakPolarHBondContact O-CB 3.36Å; D408-V412 PolarHBondContact O-N 3.16Å
409	F	95.8	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.8	-175.1	-57.5	-52.2	0	0	0	112.6	L250 Y253 V254 R257 M335 P337 S338 A340 V407 T411	L250-F409 HydrophobicContact CD1-CE1 4.25Å; L250-F409 HydrophobicContact CD2-CD1 4.27Å; L250-F409 HydrophobicContact CD2-CE1 3.53Å; L250-F409 HydrophobicContact CD2-CZ 3.66Å; L250-F409 HydrophobicContact CG-CE1 4.45Å; Y253-F409 HydrophobicContact CD1-CB 4.36Å; Y253-F409 HydrophobicContact CD1-CG 4.3Å; Y253-F409 HydrophobicContact CE1-CB 3.99Å; Y253-F409 HydrophobicContact CE1-CD2 4.01Å; Y253-F409 HydrophobicContact CE1-CG 4.05Å; V254-F409 HydrophobicContact CG2-CD1 4.3Å; R257-F409 WeakPolarHBondContact CD-O 3.46Å; M335-F409 HydrophobicContact CE-CB 4.01Å; M335-F409 HydrophobicContact SD-CB 4.49Å; P337-F409 HydrophobicContact CB-CD2 4.5Å; P337-F409 HydrophobicContact CB-CE2 4.26Å; P337-F409 HydrophobicContact CG-CD2 4.31Å; P337-F409 HydrophobicContact CG-CE2 3.99Å; S338-F409 PolarHBondContact O-N 3.12Å; A340-F409 HydrophobicContact CB-CE1 4.45Å; A340-F409 HydrophobicContact CB-CE2 3.79Å; A340-F409 HydrophobicContact CB-CZ 3.45Å; A340-F409 VanDerWaalsContact CB-CZ 3.45Å; V407-F409 HydrophobicContact CB-CE1 4.27Å; V407-F409 HydrophobicContact CG1-CD1 3.77Å; V407-F409 HydrophobicContact CG1-CE1 3.66Å; F409-T411 VanDerWaalsContact C-N 3.33Å
410	R	93.1	Very high	96.1	Very high	54 Å²	54	45.5 Å²	45.5	20%	0.204	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-30.7	176.2	-50.5	167	-66.7	-165.4	4.5	111.2	R257 M335 D408	R257-R410 PolarHBondContact NH1-O 3.26Å; M335-R410 HydrophobicContact CB-CG 4.25Å; M335-R410 HydrophobicContact CG-CG 4.4Å; M335-R410 HydrophobicContact SD-CG 4.27Å; D408-R410 PolarHBondContact O-N 2.87Å; D408-R410 VanDerWaalsContact O-N 3.16Å; D408-R410 WeakPolarHBondContact OD1-CA 3.4Å; D408-R410 WeakPolarHBondContact OD1-CB 3.47Å; D408-R410 WeakPolarHBondContact OD1-CG 3.37Å; D408-R410 IonicContact OD1-CZ 2.83Å; D408-R410 PolarHBondContact OD1-N 3.03Å; D408-R410 IonicContact OD1-NE 2.72Å; D408-R410 PolarHBondContact OD1-NE 3.04Å; D408-R410 IonicContact OD1-NH2 3.77Å; D408-R410 IonicContact OD2-CZ 3.94Å; D408-R410 IonicContact OD2-NE 2.74Å; D408-R410 PolarHBondContact OD2-NE 3.34Å; D408-R410 IonicContact OD2-NH2 2.65Å; D408-R410 PolarHBondContact OD2-NH2 3.38Å
411	T	92.9	Very high	96.1	Very high	16 Å²	16	49 Å²	49	10%	0.098	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-30	-174.4	64.2	0	0	0	0	116.1	Q266 D408 F409	Q266-T411 HydrophobicContact CB-CG2 4.45Å; D408-T411 PolarHBondContact O-N 3.16Å; F409-T411 VanDerWaalsContact C-N 3.33Å
412	V	94.9	Very high	96.2	Very high	17 Å²	17	42.3 Å²	42.3	10%	0.103	23%	0.232	C	C	.	.			trans	-57.4	153.3	-175.8	72.4	0	0	0	0	113	V254 R257 V407 D408 E416 L417	V254-V412 HydrophobicContact CG1-CG1 4.15Å; V254-V412 HydrophobicContact CG2-CG1 3.66Å; R257-V412 PolarHBondContact NH1-O 3.31Å; R257-V412 PolarHBondContact NH2-O 2.92Å; V407-V412 HydrophobicContact CG1-CB 4.09Å; V407-V412 HydrophobicContact CG1-CG1 3.99Å; V407-V412 HydrophobicContact CG1-CG2 4.15Å; D408-V412 WeakPolarHBondContact O-CB 3.36Å; D408-V412 PolarHBondContact O-N 3.16Å; V412-E416 HydrophobicContact CG2-CB 3.95Å; V412-L417 HydrophobicContact CG2-CD2 4.49Å
413	S	94.9	Very high	96.2	Very high	19 Å²	19	45 Å²	45	13%	0.133	25%	0.249	C	C	.	.			trans	-99.7	151.8	174.5	65.8	0	0	0	0	113.2	S415 E416 L417	S413-S415 WeakPolarHBondContact CB-OG 3.39Å; S413-S415 PolarHBondContact O-N 3.16Å; S413-S415 PolarHBondContact OG-OG 3.4Å; S413-E416 WeakPolarHBondContact CB-OE2 3.49Å; S413-E416 PolarHBondContact N-OE2 3.02Å; S413-E416 PolarHBondContact O-N 3.06Å; S413-E416 VanDerWaalsContact OG-CD 3.3Å; S413-E416 VanDerWaalsContact OG-CG 3.24Å; S413-E416 WeakPolarHBondContact OG-CG 3.17Å; S413-E416 PolarHBondContact OG-N 3.04Å; S413-E416 PolarHBondContact OG-OE2 3.22Å; S413-L417 PolarHBondContact O-N 3.02Å
414	E	93.5	Very high	96.3	Very high	55 Å²	55	44 Å²	44	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-56.5	-32.8	172.5	-65.6	176	-126.7	0	0	111.3	R120 V254 H255 L417 S418	R120-E414 IonicContact NH1-OE2 3.56Å; V254-E414 HydrophobicContact CG1-CG 4.07Å; H255-E414 IonicContact CE1-OE1 2.76Å; H255-E414 IonicContact CG-OE1 3.55Å; H255-E414 IonicContact ND1-OE1 3.58Å; H255-E414 PolarHBondContact ND1-OE1 3.25Å; H255-E414 IonicContact ND1-OE2 2.69Å; E414-L417 PolarHBondContact O-N 2.71Å; E414-S418 PolarHBondContact O-N 3.34Å
415	S	94.2	Very high	96.2	Very high	88 Å²	88	45.1 Å²	45.1	62%	0.615	25%	0.249	S	C	*	.	H	α-helix	trans	-66.4	-30.8	174.4	37.5	0	0	0	0	114.7	S413	S413-S415 WeakPolarHBondContact CB-OG 3.39Å; S413-S415 PolarHBondContact O-N 3.16Å; S413-S415 PolarHBondContact OG-OG 3.4Å
416	E	96	Very high	96.2	Very high	50 Å²	50	43.2 Å²	43.2	23%	0.234	24%	0.24	C	C	.	.	H	α-helix	trans	-80.7	-28.2	177	-75.2	165.2	120.8	0	0	112.2	K271 V412 S413 S419 I420	K271-E416 VanDerWaalsContact CE-OE1 3.3Å; K271-E416 WeakPolarHBondContact CE-OE1 3.43Å; K271-E416 IonicContact NZ-OE1 3.05Å; K271-E416 PolarHBondContact NZ-OE1 3.42Å; V412-E416 HydrophobicContact CG2-CB 3.95Å; S413-E416 WeakPolarHBondContact CB-OE2 3.49Å; S413-E416 PolarHBondContact N-OE2 3.02Å; S413-E416 PolarHBondContact O-N 3.06Å; S413-E416 VanDerWaalsContact OG-CD 3.3Å; S413-E416 VanDerWaalsContact OG-CG 3.24Å; S413-E416 WeakPolarHBondContact OG-CG 3.17Å; S413-E416 PolarHBondContact OG-N 3.04Å; S413-E416 PolarHBondContact OG-OE2 3.22Å; E416-S419 CarbonylContact O-C 3.59Å; E416-I420 VanDerWaalsContact O-CG1 3.27Å; E416-I420 WeakPolarHBondContact O-CG1 3.43Å
417	L	96.7	Very high	96.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-68.3	-38.9	166.5	-64.2	178.7	0	0	0	111	Y245 L250 E251 V254 V412 S413 E414 S419 I420 Y498	Y245-L417 HydrophobicContact CD1-CD2 4.17Å; Y245-L417 HydrophobicContact CE1-CD2 3.85Å; L250-L417 HydrophobicContact CB-CD1 3.88Å; E251-L417 HydrophobicContact CB-CD1 4.45Å; E251-L417 HydrophobicContact CG-CB 3.89Å; E251-L417 HydrophobicContact CG-CD1 3.92Å; V254-L417 HydrophobicContact CB-CD1 4.22Å; V254-L417 HydrophobicContact CG2-CD1 3.89Å; V412-L417 HydrophobicContact CG2-CD2 4.49Å; S413-L417 PolarHBondContact O-N 3.02Å; E414-L417 PolarHBondContact O-N 2.71Å; L417-S419 PolarHBondContact O-N 2.85Å; L417-S419 VanDerWaalsContact O-N 3.13Å; L417-I420 WeakPolarHBondContact O-CD1 3.17Å; L417-I420 WeakPolarHBondContact O-CG1 3.34Å; L417-Y498 VanDerWaalsContact O-CE1 3.27Å; L417-Y498 WeakPolarHBondContact O-CE1 3.43Å; L417-Y498 PolarHBondContact O-OH 2.71Å
418	S	95.4	Very high	96.1	Very high	46 Å²	46	41.2 Å²	41.2	32%	0.322	23%	0.232	S	C	.	.	S	Bend	trans	-64.5	-17.8	-179	-170.3	0	0	0	0	115.1	E414 A492	E414-S418 PolarHBondContact O-N 3.34Å; S418-A492 WeakPolarHBondContact O-CB 3.49Å; S418-A492 PolarHBondContact O-N 2.89Å
419	S	96.8	Very high	96.1	Very high	60 Å²	60	43 Å²	43	42%	0.42	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	95.8	179.3	-176.7	0	0	0	0	110.3	E416 L417 H491	E416-S419 CarbonylContact O-C 3.59Å; L417-S419 PolarHBondContact O-N 2.85Å; L417-S419 VanDerWaalsContact O-N 3.13Å; S419-H491 PolarHBondContact OG-CE1 2.77Å; S419-H491 VanDerWaalsContact OG-CE1 3.32Å; S419-H491 PolarHBondContact OG-ND1 2.82Å; S419-H491 VanDerWaalsContact OG-ND1 3.13Å
420	I	98	Very high	95.9	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.4	-174.3	-55.6	154.2	0	0	0	108.6	Y245 E416 L417 I422 V489 M490 Y498	Y245-I420 HydrophobicContact CD1-CD1 3.43Å; Y245-I420 VanDerWaalsContact CD1-CD1 3.43Å; Y245-I420 HydrophobicContact CD2-CD1 3.95Å; Y245-I420 HydrophobicContact CE1-CD1 3.45Å; Y245-I420 VanDerWaalsContact CE1-CD1 3.45Å; Y245-I420 HydrophobicContact CE1-CG1 4.45Å; Y245-I420 HydrophobicContact CE2-CD1 3.98Å; Y245-I420 HydrophobicContact CG-CD1 3.7Å; E416-I420 VanDerWaalsContact O-CG1 3.27Å; E416-I420 WeakPolarHBondContact O-CG1 3.43Å; L417-I420 WeakPolarHBondContact O-CD1 3.17Å; L417-I420 WeakPolarHBondContact O-CG1 3.34Å; I420-I422 HydrophobicContact CG2-CD1 3.97Å; I420-I422 HydrophobicContact CG2-CG1 3.78Å; I420-V489 WeakPolarHBondContact O-CA 3.44Å; I420-M490 HydrophobicContact CB-CB 4.33Å; I420-M490 HydrophobicContact CB-CE 4.08Å; I420-M490 HydrophobicContact CD1-CE 3.97Å; I420-M490 HydrophobicContact CG2-CE 3.84Å; I420-M490 PolarHBondContact N-O 2.94Å; I420-M490 PolarHBondContact O-N 2.98Å; I420-Y498 HydrophobicContact CD1-CE1 3.86Å
421	D	97.6	Very high	96	Very high	85 Å²	85	47.6 Å²	47.6	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	118.4	-178.6	-169.2	9	0	0	0	108.2	R487	D421-R487 IonicContact OD1-CZ 3.7Å; D421-R487 IonicContact OD1-NE 3.42Å; D421-R487 PolarHBondContact OD1-NE 3.23Å; D421-R487 VanDerWaalsContact OD1-NE 3.1Å; D421-R487 IonicContact OD1-NH2 2.98Å; D421-R487 PolarHBondContact OD1-NH2 2.73Å; D421-R487 IonicContact OD2-CZ 2.87Å; D421-R487 IonicContact OD2-NH2 3.1Å; D421-R487 PolarHBondContact OD2-NH2 2.73Å
422	I	98.3	Very high	96	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	101.7	-170	-46.6	-176.8	0	0	0	108.6	L342 I344 H405 I420 L424 R487 V488 M490	L342-I422 HydrophobicContact CD2-CD1 3.98Å; I344-I422 HydrophobicContact CD1-CB 4.33Å; I344-I422 HydrophobicContact CD1-CD1 3.86Å; I344-I422 HydrophobicContact CD1-CG2 3.8Å; H405-I422 HydrophobicContact CB-CD1 3.87Å; H405-I422 HydrophobicContact CB-CG1 4.32Å; H405-I422 HydrophobicContact CB-CG2 3.83Å; I420-I422 HydrophobicContact CG2-CD1 3.97Å; I420-I422 HydrophobicContact CG2-CG1 3.78Å; I422-L424 HydrophobicContact CG2-CD2 4.37Å; I422-R487 CarbonylContact O-C 3.05Å; I422-R487 WeakPolarHBondContact O-CA 2.98Å; I422-R487 WeakPolarHBondContact O-CB 3.41Å; I422-V488 HydrophobicContact CB-CB 4.42Å; I422-V488 PolarHBondContact N-O 3.37Å; I422-V488 PolarHBondContact O-N 3.26Å; I422-M490 HydrophobicContact CD1-CE 3.8Å
423	P	98	Very high	96	Very high	99 Å²	99	48.9 Å²	48.9	64%	0.643	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.7	173.6	29.2	-34	0	0	0	110.2
424	L	98	Very high	96.1	Very high	7 Å²	7	48 Å²	48	4%	0.037	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138	178.2	-55.4	179.8	0	0	0	110.2	I344 C403 I422 Y426 L437 N485 G486 V488 L504	I344-L424 HydrophobicContact CB-CD2 4.27Å; I344-L424 HydrophobicContact CD1-CD2 4.02Å; I344-L424 HydrophobicContact CG2-CD2 4.17Å; C403-L424 HydrophobicContact CB-CD2 4.12Å; I422-L424 HydrophobicContact CG2-CD2 4.37Å; L424-Y426 HydrophobicContact CB-CE2 3.84Å; L424-Y426 HydrophobicContact CD1-CE2 4.04Å; L424-Y426 HydrophobicContact CG-CE2 4.38Å; L424-L437 HydrophobicContact CD1-CD1 3.56Å; L424-N485 CarbonylContact O-C 3.53Å; L424-N485 WeakPolarHBondContact O-CA 3.34Å; L424-G486 PolarHBondContact N-O 2.76Å; L424-G486 PolarHBondContact O-N 2.81Å; L424-V488 HydrophobicContact CD1-CG2 3.89Å; L424-V488 HydrophobicContact CD2-CG2 4.32Å; L424-V488 HydrophobicContact CG-CG2 4.36Å; L424-L504 HydrophobicContact CD1-CD2 3.91Å
425	N	97.3	Very high	96.3	Very high	97 Å²	97	45.4 Å²	45.4	52%	0.519	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	125.5	168.6	-178.2	-45.2	0	0	0	107	N485	N425-N485 PolarHBondContact ND2-OD1 2.89Å; N425-N485 VanDerWaalsContact ND2-OD1 3.17Å
426	Y	97.5	Very high	96.5	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148	177.5	-53.2	-76.1	0	0	0	109.8	I344 P346 A400 L401 C403 L424 L437 S483 L484	I344-Y426 WeakPolarHBondContact CG2-OH 3.35Å; I344-Y426 WeakPolarHBondContact O-CE1 3.36Å; I344-Y426 PolarHBondContact O-OH 2.86Å; P346-Y426 HydrophobicContact CG-CD2 4.38Å; P346-Y426 HydrophobicContact CG-CG 4.35Å; A400-Y426 HydrophobicContact CB-CD1 4.11Å; A400-Y426 HydrophobicContact CB-CG 4.33Å; L401-Y426 WeakPolarHBondContact O-CD1 3.31Å; C403-Y426 HydrophobicContact CB-CE1 3.85Å; L424-Y426 HydrophobicContact CB-CE2 3.84Å; L424-Y426 HydrophobicContact CD1-CE2 4.04Å; L424-Y426 HydrophobicContact CG-CE2 4.38Å; Y426-L437 HydrophobicContact CE2-CD2 4.41Å; Y426-S483 WeakPolarHBondContact O-CA 3.41Å; Y426-L484 HydrophobicContact CD2-CB 4.41Å; Y426-L484 HydrophobicContact CD2-CD2 4.25Å; Y426-L484 HydrophobicContact CD2-CG 4.26Å; Y426-L484 WeakPolarHBondContact CD2-O 3.45Å; Y426-L484 PolarHBondContact N-O 2.99Å; Y426-L484 PolarHBondContact O-N 2.87Å
427	Q	96.8	Very high	96.6	Very high	113 Å²	113	38.9 Å²	38.9	53%	0.528	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.9	159.5	-63.1	-63.1	-14.2	0	0	107.4
428	I	97	Very high	96.7	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	23%	0.231	C	C	.	.			trans	-79.4	123.1	-176.7	-62.5	-60.2	0	0	0	109.7	P346 P399 A400 T430 V478 Q479 G481 Q482 L484	P346-I428 HydrophobicContact CG-CD1 4.46Å; P399-I428 HydrophobicContact CB-CG2 4.45Å; P399-I428 CarbonylContact O-C 3.52Å; P399-I428 WeakPolarHBondContact O-CA 3.27Å; A400-I428 HydrophobicContact CB-CD1 4.43Å; I428-T430 WeakPolarHBondContact CG2-O 3.48Å; I428-V478 HydrophobicContact CD1-CG2 4.03Å; I428-V478 HydrophobicContact CG1-CB 4.08Å; I428-V478 HydrophobicContact CG1-CG2 3.97Å; I428-V478 HydrophobicContact CG2-CB 4.36Å; I428-V478 HydrophobicContact CG2-CG2 3.8Å; I428-Q479 WeakPolarHBondContact CB-O 3.48Å; I428-Q479 VanDerWaalsContact CG2-O 3.27Å; I428-Q479 WeakPolarHBondContact CG2-O 3.47Å; I428-G481 PolarHBondContact O-N 3Å; I428-Q482 WeakPolarHBondContact CB-O 3.36Å; I428-Q482 VanDerWaalsContact CG1-O 3.31Å; I428-Q482 WeakPolarHBondContact CG1-O 3.35Å; I428-Q482 PolarHBondContact N-O 3.45Å; I428-L484 HydrophobicContact CD1-CB 4.11Å; I428-L484 HydrophobicContact CD1-CD2 4.15Å; I428-L484 HydrophobicContact CG1-CB 4.24Å
429	T	94.5	Very high	96.8	Very high	76 Å²	76	36.6 Å²	36.6	47%	0.466	22%	0.215	S	C	.	.	S	Bend	trans	-92.6	-14.7	-177.8	58.2	0	0	0	0	113.7	P399	P399-T429 VanDerWaalsContact C-OG1 3.24Å; P399-T429 PolarHBondContact O-N 2.66Å; P399-T429 PolarHBondContact O-OG1 3.12Å
430	T	92.1	Very high	96.9	Very high	72 Å²	72	34.5 Å²	34.5	44%	0.442	20%	0.198	S	C	.	.	S	Bend	trans	-147.9	136.3	176.6	52.3	0	0	0	0	112.2	P399 I428 S432	P399-T430 VanDerWaalsContact CB-OG1 3.26Å; P399-T430 WeakPolarHBondContact CB-OG1 3.37Å; I428-T430 WeakPolarHBondContact CG2-O 3.48Å; T430-S432 PolarHBondContact O-N 3.26Å; T430-S432 PolarHBondContact O-OG 3.25Å
431	C	94.6	Very high	97	Very high	79 Å²	79	34.4 Å²	34.4	53%	0.534	20%	0.197	S	C	.	.			trans	-54.1	122.7	171	-68.5	0	0	0	0	110.7	V478 E480	C431-V478 WeakPolarHBondContact CA-O 3.46Å; C431-E480 PolarHBondContact SG-N 2.87Å
432	S	93.9	Very high	97	Very high	15 Å²	15	31.3 Å²	31.3	11%	0.105	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	164.6	-168.2	51.1	0	0	0	0	113.3	P399 T430 V478	P399-S432 VanDerWaalsContact CB-OG 3.26Å; P399-S432 WeakPolarHBondContact CB-OG 3.47Å; P399-S432 VanDerWaalsContact CG-OG 3.31Å; P399-S432 WeakPolarHBondContact CG-OG 3.28Å; T430-S432 PolarHBondContact O-N 3.26Å; T430-S432 PolarHBondContact O-OG 3.25Å; S432-V478 PolarHBondContact N-O 2.89Å; S432-V478 WeakPolarHBondContact O-CG2 3.43Å; S432-V478 PolarHBondContact O-N 3.47Å
433	T	95.8	Very high	97	Very high	45 Å²	45	31.2 Å²	31.2	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	110.3	170.5	-58.9	0	0	0	0	108.5	S348 H435 P475	S348-T433 WeakPolarHBondContact CA-O 3.47Å; S348-T433 WeakPolarHBondContact CB-O 3.46Å; S348-T433 PolarHBondContact OG-O 3.32Å; T433-H435 PolarHBondContact O-CE1 3.02Å; T433-H435 PolarHBondContact O-N 2.8Å; T433-H435 PolarHBondContact O-ND1 3.37Å; T433-P475 HydrophobicContact CG2-CB 3.46Å; T433-P475 VanDerWaalsContact CG2-CB 3.46Å
434	I	97.1	Very high	97	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	119.1	177.2	-49.5	-45	0	0	0	109	P346 P399 L472 P475 L476 V478 L484	P346-I434 HydrophobicContact CB-CD1 3.99Å; P346-I434 HydrophobicContact CB-CG1 4.31Å; P346-I434 HydrophobicContact CB-CG2 3.71Å; P399-I434 HydrophobicContact CG-CD1 3.44Å; P399-I434 VanDerWaalsContact CG-CD1 3.44Å; I434-L472 HydrophobicContact CG2-CD1 4.28Å; I434-P475 WeakPolarHBondContact O-CA 3.44Å; I434-L476 HydrophobicContact CB-CB 4.27Å; I434-L476 WeakPolarHBondContact CB-O 3.36Å; I434-L476 PolarHBondContact N-O 3.45Å; I434-L476 PolarHBondContact O-N 3.38Å; I434-V478 HydrophobicContact CD1-CG2 3.61Å; I434-V478 HydrophobicContact CG1-CG1 4.12Å; I434-V478 HydrophobicContact CG1-CG2 3.71Å; I434-L484 HydrophobicContact CG1-CD2 4.27Å
435	H	97.3	Very high	97	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-19.7	-178.9	-72.6	94.3	0	0	0	112.7	F347 D349 E350 F353 T433 L471 L472	F347-H435 HydrophobicContact CD2-CB 4.35Å; F347-H435 HydrophobicContact CE2-CB 4Å; F347-H435 PolarHBondContact O-N 3.16Å; D349-H435 PolarHBondContact N-ND1 2.87Å; E350-H435 IonicContact OE2-CE1 3.59Å; E350-H435 IonicContact OE2-NE2 3.64Å; E350-H435 PolarHBondContact OE2-NE2 2.66Å; F353-H435 VanDerWaalsContact CB-CD2 3.44Å; F353-H435 WeakPolarHBondContact CB-CD2 3.17Å; F353-H435 AromaticContact CD2-CD2 3.68Å; F353-H435 AromaticContact CG-CD2 3.59Å; T433-H435 PolarHBondContact O-CE1 3.02Å; T433-H435 PolarHBondContact O-N 2.8Å; T433-H435 PolarHBondContact O-ND1 3.37Å; H435-L471 HydrophobicContact CB-CD2 4.35Å; H435-L471 CarbonylContact O-C 3.58Å; H435-L471 WeakPolarHBondContact O-CA 3.17Å; H435-L471 WeakPolarHBondContact O-CD2 3.2Å; H435-L472 PolarHBondContact O-N 2.96Å
436	G	97.7	Very high	96.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	-176.4	-177.3	0	0	0	0	0	113.7	P346 F347 C470	P346-G436 WeakPolarHBondContact CA-O 3.24Å; F347-G436 VanDerWaalsContact CD1-C 3.43Å; F347-G436 WeakPolarHBondContact CD1-O 3.31Å; F347-G436 VanDerWaalsContact CE1-CA 3.43Å; F347-G436 PolarHBondContact N-O 3.13Å; G436-C470 CarbonylContact C-O 3.58Å; G436-C470 WeakPolarHBondContact CA-O 3.27Å
437	L	98.4	Very high	96.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.5	165.7	-64	-177.9	0	0	0	109.9	I344 V345 P346 L424 Y426 F439 C470 V488 I502 L504	I344-L437 HydrophobicContact CG2-CB 4.18Å; I344-L437 HydrophobicContact CG2-CD1 3.95Å; I344-L437 HydrophobicContact CG2-CG 4.46Å; V345-L437 CarbonylContact O-C 3.54Å; V345-L437 WeakPolarHBondContact O-CA 3.3Å; P346-L437 HydrophobicContact CB-CD2 4.32Å; L424-L437 HydrophobicContact CD1-CD1 3.56Å; Y426-L437 HydrophobicContact CE2-CD2 4.41Å; L437-F439 HydrophobicContact CB-CD2 4.46Å; L437-F439 HydrophobicContact CB-CE2 3.62Å; L437-F439 HydrophobicContact CB-CZ 3.93Å; L437-F439 HydrophobicContact CD1-CZ 4.32Å; L437-F439 WeakPolarHBondContact O-CD2 3.43Å; L437-F439 WeakPolarHBondContact O-CE2 3.47Å; L437-C470 PolarHBondContact N-O 3.15Å; L437-C470 PolarHBondContact O-N 3.33Å; L437-V488 HydrophobicContact CD1-CG2 3.85Å; L437-I502 HydrophobicContact CB-CD1 4.38Å; L437-I502 HydrophobicContact CD1-CD1 4.2Å; L437-I502 HydrophobicContact CD1-CG1 4.31Å; L437-I502 HydrophobicContact CD1-CG2 3.6Å; L437-I502 HydrophobicContact CG-CG2 4.21Å; L437-L504 HydrophobicContact CD2-CD1 4.19Å; L437-L504 HydrophobicContact CD2-CD2 4.38Å; L437-L504 HydrophobicContact CG-CD1 4.44Å
438	A	98.5	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.5	173.6	0	0	0	0	0	110.3	I344 V345 F347 F393 V468 R469	I344-A438 WeakPolarHBondContact CA-O 3.44Å; V345-A438 HydrophobicContact CG1-CB 4.08Å; V345-A438 PolarHBondContact N-O 3.1Å; V345-A438 PolarHBondContact O-N 3.37Å; F347-A438 HydrophobicContact CD1-CB 3.8Å; F347-A438 HydrophobicContact CE1-CB 4.46Å; F393-A438 HydrophobicContact CE1-CB 3.88Å; F393-A438 HydrophobicContact CE2-CB 4.27Å; F393-A438 HydrophobicContact CZ-CB 3.53Å; A438-V468 CarbonylContact C-O 3.55Å; A438-V468 WeakPolarHBondContact CA-O 3.3Å; A438-R469 HydrophobicContact CB-CG 4.05Å
439	F	98.7	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.3	-170.7	-61.4	-99.9	0	0	0	110.9	M243 L342 Y343 I344 L437 V468 C470 V488 I502	M243-F439 HydrophobicContact CE-CD1 3.72Å; M243-F439 HydrophobicContact CE-CD2 4.23Å; M243-F439 HydrophobicContact CE-CE1 3.68Å; M243-F439 HydrophobicContact CE-CE2 4.22Å; M243-F439 HydrophobicContact CE-CG 4Å; M243-F439 HydrophobicContact CE-CZ 3.95Å; M243-F439 HydrophobicContact CG-CB 3.98Å; M243-F439 HydrophobicContact CG-CG 4.22Å; M243-F439 HydrophobicContact SD-CD2 4.41Å; M243-F439 HydrophobicContact SD-CG 4.39Å; L342-F439 HydrophobicContact CD1-CD1 4.48Å; L342-F439 HydrophobicContact CD2-CD1 4.26Å; Y343-F439 WeakPolarHBondContact O-CA 3.46Å; I344-F439 HydrophobicContact CB-CD1 4.34Å; I344-F439 HydrophobicContact CB-CE1 4.27Å; I344-F439 HydrophobicContact CD1-CD1 4.26Å; I344-F439 HydrophobicContact CD1-CE1 3.83Å; I344-F439 HydrophobicContact CG1-CD1 3.77Å; I344-F439 HydrophobicContact CG1-CE1 3.78Å; I344-F439 HydrophobicContact CG2-CD1 4.02Å; I344-F439 HydrophobicContact CG2-CE1 3.6Å; I344-F439 HydrophobicContact CG2-CZ 3.9Å; L437-F439 HydrophobicContact CB-CD2 4.46Å; L437-F439 HydrophobicContact CB-CE2 3.62Å; L437-F439 HydrophobicContact CB-CZ 3.93Å; L437-F439 HydrophobicContact CD1-CZ 4.32Å; L437-F439 WeakPolarHBondContact O-CD2 3.43Å; L437-F439 WeakPolarHBondContact O-CE2 3.47Å; F439-V468 HydrophobicContact CB-CB 4.39Å; F439-V468 PolarHBondContact N-O 2.71Å; F439-V468 PolarHBondContact O-N 2.78Å; F439-C470 HydrophobicContact CE2-CB 3.91Å; F439-V488 HydrophobicContact CE1-CG1 4.36Å; F439-V488 HydrophobicContact CE1-CG2 4.19Å; F439-V488 HydrophobicContact CZ-CG1 4.36Å; F439-V488 HydrophobicContact CZ-CG2 4.12Å; F439-I502 HydrophobicContact CE2-CD1 4.34Å; F439-I502 HydrophobicContact CZ-CD1 4.26Å
440	W	98.6	Very high	96.5	Very high	17 Å²	17	29.5 Å²	29.5	6%	0.064	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	169.7	166.8	66.3	89.7	0	0	0	109.4	Y343 V345 F393 I395 P402 A457 P458 Q467	Y343-W440 HydrophobicContact CD1-CZ2 4.22Å; Y343-W440 AromaticContact CD1-NE1 3.9Å; Y343-W440 AromaticContact CD2-CD1 3.57Å; Y343-W440 HydrophobicContact CD2-CG 4.47Å; Y343-W440 AromaticContact CD2-NE1 3.36Å; Y343-W440 AromaticContact CG-CD1 3.88Å; Y343-W440 HydrophobicContact CG-CD2 4.46Å; Y343-W440 AromaticContact CG-CE2 3.7Å; Y343-W440 HydrophobicContact CG-CZ2 4.09Å; Y343-W440 AromaticContact CG-NE1 3.28Å; Y343-W440 VanDerWaalsContact CG-NE1 3.28Å; Y343-W440 PolarHBondContact N-O 3.46Å; Y343-W440 PolarHBondContact O-N 3.48Å; V345-W440 HydrophobicContact CB-CH2 4.47Å; V345-W440 HydrophobicContact CG1-CH2 3.85Å; V345-W440 HydrophobicContact CG1-CZ3 3.58Å; F393-W440 HydrophobicContact CZ-CE3 4.27Å; F393-W440 HydrophobicContact CZ-CZ3 4.19Å; I395-W440 HydrophobicContact CD1-CH2 4.11Å; P402-W440 HydrophobicContact CB-CH2 4.04Å; P402-W440 HydrophobicContact CB-CZ2 4.08Å; P402-W440 HydrophobicContact CG-CH2 4.33Å; P402-W440 HydrophobicContact CG-CZ2 4.09Å; W440-A457 VanDerWaalsContact CD1-CA 3.41Å; W440-A457 HydrophobicContact CG-CB 4.32Å; W440-P458 HydrophobicContact CE3-CG 4.3Å; W440-P458 HydrophobicContact CZ3-CG 4.32Å; W440-Q467 HydrophobicContact CB-CG 3.9Å
441	F	98.7	Very high	96.7	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.7	179.7	64.8	-92.8	0	0	0	114.1	M240 G241 L244 N341 L342 V443 T456 W465	M240-F441 HydrophobicContact CB-CE2 3.75Å; M240-F441 HydrophobicContact CB-CZ 3.72Å; M240-F441 HydrophobicContact CE-CE2 4.28Å; M240-F441 HydrophobicContact CG-CD2 4.46Å; M240-F441 HydrophobicContact CG-CE2 3.81Å; M240-F441 HydrophobicContact CG-CZ 4.32Å; G241-F441 WeakPolarHBondContact O-CE1 3.49Å; L244-F441 HydrophobicContact CB-CB 3.92Å; L244-F441 HydrophobicContact CB-CD1 3.94Å; L244-F441 HydrophobicContact CB-CG 3.88Å; L244-F441 HydrophobicContact CD1-CB 4.5Å; L244-F441 HydrophobicContact CD1-CD2 4.04Å; L244-F441 HydrophobicContact CD1-CE2 4.49Å; L244-F441 HydrophobicContact CD1-CG 4.2Å; N341-F441 CarbonylContact O-C 3.57Å; N341-F441 WeakPolarHBondContact O-CA 3.34Å; N341-F441 WeakPolarHBondContact O-CB 3.2Å; L342-F441 HydrophobicContact CD1-CB 4.34Å; F441-V443 HydrophobicContact CD2-CG1 4.04Å; F441-V443 HydrophobicContact CE2-CG1 4.32Å; F441-T456 HydrophobicContact CD2-CG2 4.34Å; F441-T456 HydrophobicContact CE1-CG2 4.24Å; F441-T456 HydrophobicContact CE2-CG2 3.91Å; F441-T456 HydrophobicContact CZ-CG2 3.86Å; F441-T456 PolarHBondContact N-OG1 3.14Å; F441-T456 WeakPolarHBondContact O-CB 3.48Å; F441-T456 PolarHBondContact O-N 2.93Å; F441-T456 PolarHBondContact O-OG1 2.86Å; F441-W465 HydrophobicContact CE1-CB 4.31Å; F441-W465 HydrophobicContact CE1-CG 4.13Å; F441-W465 HydrophobicContact CZ-CB 4.32Å; F441-W465 AromaticContact CZ-CD1 3.85Å; F441-W465 AromaticContact CZ-CD2 3.8Å; F441-W465 HydrophobicContact CZ-CD2 3.8Å; F441-W465 AromaticContact CZ-CE2 3.93Å; F441-W465 HydrophobicContact CZ-CE3 4.39Å; F441-W465 AromaticContact CZ-CG 3.75Å; F441-W465 HydrophobicContact CZ-CG 3.75Å; F441-W465 AromaticContact CZ-NE1 3.94Å
442	D	98.4	Very high	96.9	Very high	20 Å²	20	27 Å²	27	11%	0.107	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145.5	165.8	-53.7	-20.9	0	0	0	109.4	A340 N341 Y343 W453 L454 S455	A340-D442 CarbonylContact C-O 3.55Å; A340-D442 VanDerWaalsContact CA-O 3.24Å; A340-D442 WeakPolarHBondContact CA-O 3.32Å; N341-D442 HydrophobicContact CB-CB 4.49Å; N341-D442 PolarHBondContact N-O 3.12Å; N341-D442 PolarHBondContact O-N 2.94Å; Y343-D442 HydrophobicContact CE2-CB 4.04Å; Y343-D442 WeakPolarHBondContact CE2-OD2 3.3Å; Y343-D442 PolarHBondContact OH-OD2 2.91Å; D442-W453 HydrophobicContact CB-CE3 3.88Å; D442-W453 HydrophobicContact CB-CZ3 4.15Å; D442-L454 CarbonylContact C-O 3.59Å; D442-L454 VanDerWaalsContact CA-O 3.31Å; D442-L454 WeakPolarHBondContact CA-O 3.21Å; D442-S455 VanDerWaalsContact OD1-CA 3.3Å; D442-S455 WeakPolarHBondContact OD1-CA 3.44Å; D442-S455 WeakPolarHBondContact OD1-CB 3.35Å; D442-S455 PolarHBondContact OD1-OG 2.97Å
443	V	98.4	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.2	169.3	-57.5	0	0	0	0	111.6	M240 L244 P337 V339 A340 F441 F445 W453 L454	M240-V443 HydrophobicContact CE-CG1 4.11Å; M240-V443 HydrophobicContact CE-CG2 3.78Å; M240-V443 HydrophobicContact CG-CG1 3.83Å; M240-V443 HydrophobicContact SD-CG1 3.82Å; M240-V443 HydrophobicContact SD-CG2 4.24Å; L244-V443 HydrophobicContact CD1-CG1 4.3Å; P337-V443 HydrophobicContact CB-CB 3.79Å; P337-V443 HydrophobicContact CB-CG2 4.09Å; P337-V443 HydrophobicContact CG-CB 4.37Å; V339-V443 WeakPolarHBondContact O-CA 3.43Å; A340-V443 HydrophobicContact CB-CG1 3.89Å; F441-V443 HydrophobicContact CD2-CG1 4.04Å; F441-V443 HydrophobicContact CE2-CG1 4.32Å; V443-F445 HydrophobicContact CG2-CE2 4.09Å; V443-F445 HydrophobicContact CG2-CZ 4.01Å; V443-W453 WeakPolarHBondContact O-CA 3.42Å; V443-L454 HydrophobicContact CG2-CB 3.87Å; V443-L454 HydrophobicContact CG2-CD2 4.2Å; V443-L454 HydrophobicContact CG2-CG 4.35Å; V443-L454 PolarHBondContact N-O 3.22Å; V443-L454 PolarHBondContact O-N 2.75Å
444	G	97.9	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.1	-177.1	0	0	0	0	0	111.5	S338 V339 L446	S338-G444 WeakPolarHBondContact CB-O 3.43Å; S338-G444 PolarHBondContact N-O 2.76Å; V339-G444 PolarHBondContact N-O 2.76Å; V339-G444 PolarHBondContact O-N 3.27Å; G444-L446 PolarHBondContact O-N 3.47Å
445	F	97.9	Very high	97.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	89.7	170.6	-54.2	-82.4	0	0	0	108.1	T151 Y152 A155 F336 P337 V443 G447 D451 V452 L454	T151-F445 HydrophobicContact CG2-CE2 4.35Å; Y152-F445 AromaticContact CD1-CE1 3.84Å; Y152-F445 HydrophobicContact CD1-CE1 3.84Å; Y152-F445 AromaticContact CD1-CZ 3.96Å; Y152-F445 HydrophobicContact CD1-CZ 3.96Å; Y152-F445 HydrophobicContact CD2-CZ 4.03Å; Y152-F445 AromaticContact CE1-CE1 3.45Å; Y152-F445 HydrophobicContact CE1-CE1 3.45Å; Y152-F445 VanDerWaalsContact CE1-CE1 3.45Å; Y152-F445 AromaticContact CE1-CZ 3.67Å; Y152-F445 HydrophobicContact CE1-CZ 3.67Å; Y152-F445 HydrophobicContact CE2-CE1 4.39Å; Y152-F445 AromaticContact CE2-CZ 3.76Å; Y152-F445 HydrophobicContact CE2-CZ 3.76Å; Y152-F445 HydrophobicContact CG-CE1 4.45Å; Y152-F445 HydrophobicContact CG-CZ 4.13Å; Y152-F445 AromaticContact CZ-CE1 3.75Å; Y152-F445 AromaticContact CZ-CZ 3.55Å; A155-F445 HydrophobicContact CB-CB 3.64Å; A155-F445 HydrophobicContact CB-CD1 4.08Å; A155-F445 HydrophobicContact CB-CD2 3.74Å; A155-F445 HydrophobicContact CB-CE2 4.44Å; A155-F445 HydrophobicContact CB-CG 3.54Å; F336-F445 HydrophobicContact CB-CD1 3.76Å; F336-F445 HydrophobicContact CB-CE1 4.35Å; F336-F445 HydrophobicContact CD1-CB 4.07Å; F336-F445 HydrophobicContact CD1-CD1 4.32Å; F336-F445 HydrophobicContact CD2-CB 4.22Å; F336-F445 AromaticContact CD2-CD1 3.99Å; F336-F445 HydrophobicContact CD2-CD1 3.99Å; F336-F445 HydrophobicContact CE1-CB 4.02Å; F336-F445 HydrophobicContact CE2-CB 4.18Å; F336-F445 HydrophobicContact CG-CB 4.18Å; F336-F445 AromaticContact CG-CD1 3.76Å; F336-F445 HydrophobicContact CG-CD1 3.76Å; F336-F445 HydrophobicContact CG-CG 4.46Å; F336-F445 HydrophobicContact CZ-CB 4.08Å; P337-F445 HydrophobicContact CB-CD1 4.16Å; P337-F445 HydrophobicContact CB-CE1 3.87Å; P337-F445 HydrophobicContact CB-CZ 4.37Å; V443-F445 HydrophobicContact CG2-CE2 4.09Å; V443-F445 HydrophobicContact CG2-CZ 4.01Å; F445-G447 PolarHBondContact O-N 3.3Å; F445-D451 WeakPolarHBondContact O-CA 3.4Å; F445-V452 HydrophobicContact CB-CB 4.42Å; F445-V452 WeakPolarHBondContact CB-O 3.31Å; F445-V452 HydrophobicContact CD2-CB 4.45Å; F445-V452 HydrophobicContact CD2-CG1 4.43Å; F445-V452 WeakPolarHBondContact CD2-O 3.43Å; F445-V452 PolarHBondContact N-O 3.25Å; F445-V452 PolarHBondContact O-N 2.88Å; F445-V452 VanDerWaalsContact O-N 3.13Å; F445-L454 HydrophobicContact CE2-CB 3.96Å
446	L	95.8	Very high	97.2	Very high	35 Å²	35	30.5 Å²	30.5	18%	0.183	15%	0.15	C	C	.	.			trans	-90.6	85.8	-174.3	-52	-177.8	0	0	0	109.5	S338 V339 G444 D451 W453	S338-L446 PolarHBondContact OG-N 2.71Å; V339-L446 HydrophobicContact CB-CD1 4.43Å; V339-L446 HydrophobicContact CG1-CD1 3.68Å; V339-L446 HydrophobicContact CG2-CD1 3.83Å; V339-L446 HydrophobicContact CG2-CD2 4.41Å; V339-L446 HydrophobicContact CG2-CG 4.08Å; G444-L446 PolarHBondContact O-N 3.47Å; L446-D451 WeakPolarHBondContact CA-OD1 3.43Å; L446-D451 HydrophobicContact CD2-CB 4.14Å; L446-D451 VanDerWaalsContact CD2-CG 3.46Å; L446-D451 WeakPolarHBondContact CD2-OD1 3.47Å; L446-W453 HydrophobicContact CD2-CZ2 4.26Å
447	G	93.7	Very high	97.2	Very high	12 Å²	12	30.8 Å²	30.8	12%	0.124	15%	0.153	C	C	.	.			trans	-99.2	164.3	-177.9	0	0	0	0	0	113.4	N159 D163 F445 Q449	N159-G447 VanDerWaalsContact OD1-C 3.22Å; N159-G447 WeakPolarHBondContact OD1-CA 3.26Å; D163-G447 WeakPolarHBondContact OD2-CA 3.26Å; F445-G447 PolarHBondContact O-N 3.3Å; G447-Q449 PolarHBondContact O-N 3.08Å
448	S	93.6	Very high	97.1	Very high	75 Å²	75	32 Å²	32	52%	0.524	16%	0.16	S	C	.	.	S	Bend	trans	-69.2	-3.7	-173	-53.4	0	0	0	0	114.7	N159 D163	N159-S448 PolarHBondContact OD1-N 2.88Å; D163-S448 WeakPolarHBondContact OD1-CB 3.26Å; D163-S448 PolarHBondContact OD1-OG 3.03Å; D163-S448 PolarHBondContact OD2-N 3.02Å
449	Q	93.9	Very high	96.9	Very high	95 Å²	95	36.5 Å²	36.5	44%	0.444	19%	0.188	S	C	.	.	S	Bend	trans	-124.2	-35	-179.1	-45.7	-159.7	-108	0	0	113.3	N159 S161 A162 G447	N159-Q449 VanDerWaalsContact C-OE1 3.31Å; N159-Q449 PolarHBondContact O-OE1 2.76Å; N159-Q449 WeakPolarHBondContact OD1-CA 3.46Å; N159-Q449 WeakPolarHBondContact OD1-CB 3.46Å; N159-Q449 PolarHBondContact OD1-N 2.96Å; S161-Q449 PolarHBondContact OG-NE2 2.97Å; S161-Q449 PolarHBondContact OG-OE1 2.84Å; A162-Q449 HydrophobicContact CB-CG 3.59Å; A162-Q449 VanDerWaalsContact N-OE1 3.11Å; G447-Q449 PolarHBondContact O-N 3.08Å
450	R	95.2	Very high	96.7	Very high	149 Å²	149	41.7 Å²	41.7	56%	0.562	21%	0.212	S	C	*	.			trans	-160.8	123.8	-175.8	-178.5	172.6	-171.5	159	9	112	A158 N159 V452	A158-R450 HydrophobicContact CB-CB 4.3Å; N159-R450 PolarHBondContact ND2-O 3.27Å; N159-R450 PolarHBondContact OD1-N 3.23Å; N159-R450 PolarHBondContact OD1-O 3Å; R450-V452 HydrophobicContact CG-CG2 4.18Å
451	D	97	Very high	96.5	Very high	92 Å²	92	44.5 Å²	44.5	49%	0.492	23%	0.233	S	C	.	.			trans	-66.8	132	163.7	-68.7	-10.5	0	0	0	110.8	F445 L446	F445-D451 WeakPolarHBondContact O-CA 3.4Å; L446-D451 WeakPolarHBondContact CA-OD1 3.43Å; L446-D451 HydrophobicContact CD2-CB 4.14Å; L446-D451 VanDerWaalsContact CD2-CG 3.46Å; L446-D451 WeakPolarHBondContact CD2-OD1 3.47Å
452	V	97.9	Very high	96.2	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.4	171.4	177.6	0	0	0	0	108.1	T151 K154 A155 F445 R450	T151-V452 HydrophobicContact CG2-CG1 3.8Å; K154-V452 HydrophobicContact CD-CG1 4.5Å; A155-V452 HydrophobicContact CB-CB 3.92Å; A155-V452 HydrophobicContact CB-CG1 4.06Å; A155-V452 HydrophobicContact CB-CG2 4.37Å; F445-V452 HydrophobicContact CB-CB 4.42Å; F445-V452 WeakPolarHBondContact CB-O 3.31Å; F445-V452 HydrophobicContact CD2-CB 4.45Å; F445-V452 HydrophobicContact CD2-CG1 4.43Å; F445-V452 WeakPolarHBondContact CD2-O 3.43Å; F445-V452 PolarHBondContact N-O 3.25Å; F445-V452 PolarHBondContact O-N 2.88Å; F445-V452 VanDerWaalsContact O-N 3.13Å; R450-V452 HydrophobicContact CG-CG2 4.18Å
453	W	98.1	Very high	96	Very high	107 Å²	107	46.9 Å²	46.9	41%	0.405	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.9	178.6	-70.6	83.3	0	0	0	110.5	T151 V339 D442 V443 L446	T151-W453 WeakPolarHBondContact CG2-O 3.12Å; V339-W453 HydrophobicContact CG2-CH2 3.6Å; V339-W453 HydrophobicContact CG2-CZ2 4.2Å; V339-W453 HydrophobicContact CG2-CZ3 4.16Å; D442-W453 HydrophobicContact CB-CE3 3.88Å; D442-W453 HydrophobicContact CB-CZ3 4.15Å; V443-W453 WeakPolarHBondContact O-CA 3.42Å; L446-W453 HydrophobicContact CD2-CZ2 4.26Å
454	L	98.1	Very high	95.7	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.7	165.8	169.4	61.8	0	0	0	106.9	I147 T151 Y152 M240 D442 V443 F445 W465	I147-L454 HydrophobicContact CG2-CD1 3.94Å; T151-L454 HydrophobicContact CG2-CB 3.79Å; T151-L454 HydrophobicContact CG2-CD1 4.45Å; Y152-L454 HydrophobicContact CD2-CD2 4.28Å; Y152-L454 HydrophobicContact CE2-CD2 3.95Å; M240-L454 HydrophobicContact CE-CD2 4.2Å; D442-L454 CarbonylContact C-O 3.59Å; D442-L454 VanDerWaalsContact CA-O 3.31Å; D442-L454 WeakPolarHBondContact CA-O 3.21Å; V443-L454 HydrophobicContact CG2-CB 3.87Å; V443-L454 HydrophobicContact CG2-CD2 4.2Å; V443-L454 HydrophobicContact CG2-CG 4.35Å; V443-L454 PolarHBondContact N-O 3.22Å; V443-L454 PolarHBondContact O-N 2.75Å; F445-L454 HydrophobicContact CE2-CB 3.96Å; L454-W465 HydrophobicContact CD2-CH2 3.99Å; L454-W465 HydrophobicContact CD2-CZ3 3.99Å
455	S	97.8	Very high	95.6	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	151.6	178.5	-176.4	0	0	0	0	111.2	D442 A457	D442-S455 VanDerWaalsContact OD1-CA 3.3Å; D442-S455 WeakPolarHBondContact OD1-CA 3.44Å; D442-S455 WeakPolarHBondContact OD1-CB 3.35Å; D442-S455 PolarHBondContact OD1-OG 2.97Å; S455-A457 WeakPolarHBondContact OG-CB 3.38Å; S455-A457 PolarHBondContact OG-N 3.32Å
456	T	97.8	Very high	95.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	27%	0.268	C	S	.	.			trans	-117.9	18.3	167.2	62.4	0	0	0	0	111.9	F441 W465 Q467	F441-T456 HydrophobicContact CD2-CG2 4.34Å; F441-T456 HydrophobicContact CE1-CG2 4.24Å; F441-T456 HydrophobicContact CE2-CG2 3.91Å; F441-T456 HydrophobicContact CZ-CG2 3.86Å; F441-T456 PolarHBondContact N-OG1 3.14Å; F441-T456 WeakPolarHBondContact O-CB 3.48Å; F441-T456 PolarHBondContact O-N 2.93Å; F441-T456 PolarHBondContact O-OG1 2.86Å; T456-W465 HydrophobicContact CG2-CB 4.23Å; T456-W465 HydrophobicContact CG2-CD2 4.25Å; T456-W465 HydrophobicContact CG2-CE3 3.72Å; T456-W465 HydrophobicContact CG2-CZ3 4.44Å; T456-Q467 WeakPolarHBondContact O-CG 3.27Å; T456-Q467 PolarHBondContact O-NE2 3.1Å
457	A	97.6	Very high	95.6	Very high	7 Å²	7	50.8 Å²	50.8	6%	0.058	26%	0.261	C	S	.	.			trans	-59.8	148.4	179.9	0	0	0	0	0	112.8	W440 S455 T459 E460	W440-A457 VanDerWaalsContact CD1-CA 3.41Å; W440-A457 HydrophobicContact CG-CB 4.32Å; S455-A457 WeakPolarHBondContact OG-CB 3.38Å; S455-A457 PolarHBondContact OG-N 3.32Å; A457-T459 PolarHBondContact O-N 3.43Å; A457-T459 VanDerWaalsContact O-N 3.1Å; A457-E460 HydrophobicContact CB-CG 4.26Å; A457-E460 PolarHBondContact O-N 3.31Å
458	P	95.8	Very high	95.8	Very high	24 Å²	24	50.4 Å²	50.4	16%	0.156	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.4	176.5	29.2	-36.2	0	0	0	113.4	F393 I395 W440 Q467	F393-P458 HydrophobicContact CD2-CB 4.38Å; F393-P458 HydrophobicContact CE2-CB 4.09Å; F393-P458 HydrophobicContact CE2-CG 3.83Å; F393-P458 HydrophobicContact CZ-CB 4.19Å; F393-P458 HydrophobicContact CZ-CG 3.91Å; F393-P458 WeakPolarHBondContact O-CB 3.39Å; I395-P458 HydrophobicContact CB-CG 4.45Å; I395-P458 HydrophobicContact CD1-CG 4.01Å; W440-P458 HydrophobicContact CE3-CG 4.3Å; W440-P458 HydrophobicContact CZ3-CG 4.32Å; P458-Q467 HydrophobicContact CB-CG 4.32Å
459	T	94.5	Very high	96.1	Very high	96 Å²	96	47 Å²	47	59%	0.589	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.7	174	52.5	0	0	0	0	113.9	I395 A457	I395-T459 HydrophobicContact CB-CG2 4.11Å; I395-T459 HydrophobicContact CG1-CG2 4.25Å; I395-T459 HydrophobicContact CG2-CG2 3.93Å; A457-T459 PolarHBondContact O-N 3.43Å; A457-T459 VanDerWaalsContact O-N 3.1Å
460	E	95.2	Very high	96.3	Very high	109 Å²	109	42.4 Å²	42.4	51%	0.509	21%	0.21	S	C	.	.	S	Bend	trans	-107.6	163.6	-175.6	-73.1	-69	154	0	0	111.6	A457 L462	A457-E460 HydrophobicContact CB-CG 4.26Å; A457-E460 PolarHBondContact O-N 3.31Å; E460-L462 PolarHBondContact O-N 3.36Å
461	P	93.6	Very high	96.4	Very high	76 Å²	76	35.4 Å²	35.4	49%	0.494	18%	0.184	S	C	.	.			trans	-55.9	129.9	177	-26.4	36.1	0	0	0	112.6	I147 T463	I147-P461 HydrophobicContact CD1-CB 3.86Å; I147-P461 HydrophobicContact CD1-CG 4.47Å; I147-P461 HydrophobicContact CG1-CB 4.14Å; P461-T463 PolarHBondContact O-N 3.21Å
462	L	93.2	Very high	96.3	Very high	67 Å²	67	31 Å²	31	35%	0.351	16%	0.16	S	C	.	.			trans	-59	134.9	-170.8	-169.1	63.5	0	0	0	112.9	T392 E460 Y466 Y526	T392-L462 HydrophobicContact CG2-CD1 4.13Å; T392-L462 HydrophobicContact CG2-CD2 4.22Å; E460-L462 PolarHBondContact O-N 3.36Å; L462-Y466 HydrophobicContact CD1-CD1 3.92Å; L462-Y466 HydrophobicContact CD2-CD1 4.04Å; L462-Y466 HydrophobicContact CD2-CE1 3.92Å; L462-Y466 HydrophobicContact CG-CD1 4.23Å; L462-Y466 HydrophobicContact CG-CE1 4.4Å; L462-Y526 HydrophobicContact CD2-CE1 4.5Å; L462-Y526 HydrophobicContact CD2-CE2 3.77Å
463	T	94.2	Very high	95.9	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.037	18%	0.178	C	C	.	.			trans	-112.9	164.1	176.2	63.4	0	0	0	0	110.5	D145 I147 P461 W465 Y466	D145-T463 WeakPolarHBondContact OD2-CA 3.06Å; D145-T463 WeakPolarHBondContact OD2-CB 3.37Å; I147-T463 HydrophobicContact CB-CG2 4.07Å; I147-T463 HydrophobicContact CG2-CG2 3.8Å; P461-T463 PolarHBondContact O-N 3.21Å; T463-W465 HydrophobicContact CG2-CE3 4.37Å; T463-W465 PolarHBondContact O-N 2.88Å; T463-W465 VanDerWaalsContact O-N 3.12Å; T463-Y466 PolarHBondContact O-N 3.22Å
464	H	91.9	Very high	95.7	Very high	53 Å²	53	31.6 Å²	31.6	25%	0.245	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.9	178.8	76	-61.4	0	0	0	114.8	D145 R148 Y466	D145-H464 IonicContact OD2-CE1 2.72Å; D145-H464 IonicContact OD2-CG 2.85Å; D145-H464 PolarHBondContact OD2-N 3.46Å; D145-H464 IonicContact OD2-ND1 2.71Å; D145-H464 PolarHBondContact OD2-ND1 2.81Å; R148-H464 PolarHBondContact NH1-CE1 3.33Å; R148-H464 PolarHBondContact NH1-NE2 3.17Å; H464-Y466 VanDerWaalsContact C-N 3.33Å; H464-Y466 VanDerWaalsContact O-CD2 3.24Å; H464-Y466 WeakPolarHBondContact O-CD2 3.37Å; H464-Y466 VanDerWaalsContact O-CE2 3.3Å; H464-Y466 WeakPolarHBondContact O-CE2 3.23Å
465	W	95.3	Very high	95.5	Very high	9 Å²	9	33.7 Å²	33.7	3%	0.034	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.6	171.3	-66.9	-75.5	0	0	0	113.2	R148 E238 M240 Y242 F441 L454 T456 T463	R148-W465 HydrophobicContact CB-CH2 4.12Å; R148-W465 HydrophobicContact CB-CZ3 4.03Å; R148-W465 HydrophobicContact CG-CH2 3.86Å; R148-W465 HydrophobicContact CG-CZ3 4.3Å; E238-W465 HydrophobicContact CG-CZ2 4.37Å; M240-W465 HydrophobicContact CB-CZ2 4.25Å; M240-W465 HydrophobicContact CE-CH2 3.79Å; M240-W465 HydrophobicContact CE-CZ2 3.77Å; M240-W465 PolarHBondContact O-NE1 3.28Å; Y242-W465 WeakPolarHBondContact CD1-O 3.44Å; F441-W465 HydrophobicContact CE1-CB 4.31Å; F441-W465 HydrophobicContact CE1-CG 4.13Å; F441-W465 HydrophobicContact CZ-CB 4.32Å; F441-W465 AromaticContact CZ-CD1 3.85Å; F441-W465 AromaticContact CZ-CD2 3.8Å; F441-W465 HydrophobicContact CZ-CD2 3.8Å; F441-W465 AromaticContact CZ-CE2 3.93Å; F441-W465 HydrophobicContact CZ-CE3 4.39Å; F441-W465 AromaticContact CZ-CG 3.75Å; F441-W465 HydrophobicContact CZ-CG 3.75Å; F441-W465 AromaticContact CZ-NE1 3.94Å; L454-W465 HydrophobicContact CD2-CH2 3.99Å; L454-W465 HydrophobicContact CD2-CZ3 3.99Å; T456-W465 HydrophobicContact CG2-CB 4.23Å; T456-W465 HydrophobicContact CG2-CD2 4.25Å; T456-W465 HydrophobicContact CG2-CE3 3.72Å; T456-W465 HydrophobicContact CG2-CZ3 4.44Å; T463-W465 HydrophobicContact CG2-CE3 4.37Å; T463-W465 PolarHBondContact O-N 2.88Å; T463-W465 VanDerWaalsContact O-N 3.12Å
466	Y	95.8	Very high	95.4	Very high	52 Å²	52	32.9 Å²	32.9	20%	0.204	19%	0.191	C	C	.	.			trans	50.6	-147.2	-169.2	-53.8	-91.2	0	0	0	111.4	V390 D391 L462 T463 H464 Y526	V390-Y466 HydrophobicContact CG1-CD2 3.82Å; V390-Y466 HydrophobicContact CG1-CG 4.18Å; D391-Y466 WeakPolarHBondContact O-CB 3.27Å; L462-Y466 HydrophobicContact CD1-CD1 3.92Å; L462-Y466 HydrophobicContact CD2-CD1 4.04Å; L462-Y466 HydrophobicContact CD2-CE1 3.92Å; L462-Y466 HydrophobicContact CG-CD1 4.23Å; L462-Y466 HydrophobicContact CG-CE1 4.4Å; T463-Y466 PolarHBondContact O-N 3.22Å; H464-Y466 VanDerWaalsContact C-N 3.33Å; H464-Y466 VanDerWaalsContact O-CD2 3.24Å; H464-Y466 WeakPolarHBondContact O-CD2 3.37Å; H464-Y466 VanDerWaalsContact O-CE2 3.3Å; H464-Y466 WeakPolarHBondContact O-CE2 3.23Å; Y466-Y526 HydrophobicContact CD1-CD1 4.31Å; Y466-Y526 HydrophobicContact CD1-CD2 4.11Å; Y466-Y526 AromaticContact CD1-CG 3.88Å; Y466-Y526 HydrophobicContact CD1-CG 3.88Å; Y466-Y526 AromaticContact CE1-CD1 3.31Å; Y466-Y526 HydrophobicContact CE1-CD1 3.31Å; Y466-Y526 AromaticContact CE1-CD2 3.84Å; Y466-Y526 HydrophobicContact CE1-CD2 3.84Å; Y466-Y526 AromaticContact CE1-CE1 3.76Å; Y466-Y526 HydrophobicContact CE1-CE1 3.76Å; Y466-Y526 HydrophobicContact CE1-CE2 4.24Å; Y466-Y526 AromaticContact CE1-CG 3.32Å; Y466-Y526 HydrophobicContact CE1-CG 3.32Å; Y466-Y526 AromaticContact CZ-CD1 3.76Å
467	Q	97.9	Very high	95.2	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.019	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	171.4	161.3	-63.9	82.4	47.3	0	0	109.1	D391 T392 F393 W440 T456 P458	D391-Q467 PolarHBondContact N-O 3.16Å; D391-Q467 CarbonylContact O-C 3.55Å; D391-Q467 PolarHBondContact O-N 3.1Å; T392-Q467 VanDerWaalsContact CA-OE1 3.26Å; T392-Q467 PolarHBondContact OG1-OE1 3.35Å; F393-Q467 HydrophobicContact CD1-CB 4.22Å; F393-Q467 HydrophobicContact CE1-CB 3.56Å; F393-Q467 HydrophobicContact CE1-CG 4.03Å; F393-Q467 HydrophobicContact CZ-CB 4.43Å; W440-Q467 HydrophobicContact CB-CG 3.9Å; T456-Q467 WeakPolarHBondContact O-CG 3.27Å; T456-Q467 PolarHBondContact O-NE2 3.1Å; P458-Q467 HydrophobicContact CB-CG 4.32Å
468	V	98.3	Very high	95	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.1	178.1	-172	0	0	0	0	110.4	M243 P388 I389 V390 A438 F439	M243-V468 HydrophobicContact CG-CB 3.67Å; M243-V468 HydrophobicContact CG-CG1 3.81Å; M243-V468 HydrophobicContact CG-CG2 3.82Å; M243-V468 HydrophobicContact SD-CB 4.38Å; M243-V468 HydrophobicContact SD-CG1 3.89Å; P388-V468 HydrophobicContact CB-CG1 3.59Å; I389-V468 CarbonylContact O-C 3.57Å; I389-V468 WeakPolarHBondContact O-CA 3.33Å; V390-V468 HydrophobicContact CG2-CG2 4.33Å; A438-V468 CarbonylContact C-O 3.55Å; A438-V468 WeakPolarHBondContact CA-O 3.3Å; F439-V468 HydrophobicContact CB-CB 4.39Å; F439-V468 PolarHBondContact N-O 2.71Å; F439-V468 PolarHBondContact O-N 2.78Å
469	R	98.3	Very high	94.9	Very high	3 Å²	3	42.6 Å²	42.6	1%	0.011	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.7	179.9	-64.8	-163.8	-76.8	162	2.3	110.5	F347 D349 L352 I389 D391 F393 A438	F347-R469 HydrophobicContact CE1-CB 3.78Å; F347-R469 HydrophobicContact CE1-CG 4.13Å; F347-R469 HydrophobicContact CZ-CB 3.91Å; F347-R469 HydrophobicContact CZ-CG 4.44Å; D349-R469 IonicContact OD2-CZ 2.76Å; D349-R469 IonicContact OD2-NH1 2.72Å; D349-R469 PolarHBondContact OD2-NH1 2.8Å; D349-R469 IonicContact OD2-NH2 3.3Å; L352-R469 HydrophobicContact CD2-CB 4.43Å; I389-R469 PolarHBondContact N-O 2.98Å; I389-R469 PolarHBondContact O-N 2.87Å; D391-R469 VanDerWaalsContact CG-NH2 3.28Å; D391-R469 IonicContact OD1-CZ 3.31Å; D391-R469 VanDerWaalsContact OD1-CZ 3.32Å; D391-R469 IonicContact OD1-NE 3.72Å; D391-R469 PolarHBondContact OD1-NE 3.02Å; D391-R469 IonicContact OD1-NH2 3.57Å; D391-R469 PolarHBondContact OD1-NH2 2.94Å; D391-R469 IonicContact OD2-CZ 3.75Å; D391-R469 IonicContact OD2-NH2 2.92Å; D391-R469 PolarHBondContact OD2-NH2 3.13Å; F393-R469 VanDerWaalsContact CD1-CD 3.47Å; F393-R469 HydrophobicContact CD1-CG 3.95Å; F393-R469 HydrophobicContact CE1-CG 3.94Å; A438-R469 HydrophobicContact CB-CG 4.05Å
470	C	98.2	Very high	95	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.6	179.1	-60.8	0	0	0	0	108.9	G436 L437 F439 I502 L517	G436-C470 CarbonylContact C-O 3.58Å; G436-C470 WeakPolarHBondContact CA-O 3.27Å; L437-C470 PolarHBondContact N-O 3.15Å; L437-C470 PolarHBondContact O-N 3.33Å; F439-C470 HydrophobicContact CE2-CB 3.91Å; C470-I502 HydrophobicContact CB-CD1 3.49Å; C470-I502 VanDerWaalsContact CB-CD1 3.49Å; C470-L517 HydrophobicContact CB-CD1 4.04Å; C470-L517 HydrophobicContact CB-CD2 3.64Å
471	L	97.4	Very high	94.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	159	179.5	-68.9	168.1	0	0	0	111.9	F347 L352 F353 Q356 F385 I389 H435 N515	F347-L471 HydrophobicContact CE2-CD2 4.15Å; F347-L471 HydrophobicContact CZ-CD2 3.86Å; L352-L471 HydrophobicContact CD2-CD2 4Å; L352-L471 HydrophobicContact CD2-CG 4.49Å; L352-L471 HydrophobicContact CG-CD2 4.33Å; F353-L471 HydrophobicContact CB-CD2 4.46Å; F353-L471 HydrophobicContact CD2-CD2 4.29Å; Q356-L471 HydrophobicContact CB-CD1 4.19Å; Q356-L471 HydrophobicContact CG-CD1 3.44Å; Q356-L471 VanDerWaalsContact CG-CD1 3.44Å; F385-L471 HydrophobicContact CD1-CB 3.73Å; F385-L471 HydrophobicContact CD1-CD1 4.08Å; F385-L471 HydrophobicContact CE1-CB 3.91Å; F385-L471 HydrophobicContact CE1-CD1 3.79Å; F385-L471 HydrophobicContact CE1-CG 4.39Å; F385-L471 HydrophobicContact CZ-CD1 4.38Å; I389-L471 HydrophobicContact CD1-CD1 3.9Å; I389-L471 HydrophobicContact CD1-CG 4.43Å; H435-L471 HydrophobicContact CB-CD2 4.35Å; H435-L471 CarbonylContact O-C 3.58Å; H435-L471 WeakPolarHBondContact O-CA 3.17Å; H435-L471 WeakPolarHBondContact O-CD2 3.2Å; L471-N515 PolarHBondContact O-ND2 2.83Å
472	L	95.7	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	149.2	164.7	-54.5	-179	0	0	0	109.7	F385 I434 H435 T474 L476 I502 L504 I513	F385-L472 VanDerWaalsContact CD1-O 3.32Å; F385-L472 WeakPolarHBondContact CD1-O 3.46Å; F385-L472 WeakPolarHBondContact CE1-O 3.32Å; I434-L472 HydrophobicContact CG2-CD1 4.28Å; H435-L472 PolarHBondContact O-N 2.96Å; L472-T474 VanDerWaalsContact CB-O 3.25Å; L472-T474 WeakPolarHBondContact CB-O 3.44Å; L472-T474 PolarHBondContact O-N 2.85Å; L472-L476 HydrophobicContact CD1-CB 4.13Å; L472-I502 HydrophobicContact CD2-CG2 4.15Å; L472-L504 HydrophobicContact CD1-CD1 3.96Å; L472-L504 HydrophobicContact CD2-CD1 3.9Å; L472-I513 HydrophobicContact CB-CG2 4Å; L472-I513 HydrophobicContact CD1-CG2 4.11Å; L472-I513 HydrophobicContact CD2-CG2 4.36Å; L472-I513 HydrophobicContact CG-CG2 4.37Å
473	G	90.2	Very high	95	Very high	41 Å²	41	39.6 Å²	39.6	42%	0.423	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-20.7	173.7	0	0	0	0	0	113.9
474	T	92.7	Very high	95.1	Very high	85 Å²	85	39.3 Å²	39.3	52%	0.521	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.4	172.8	-54.5	0	0	0	0	108.1	L472	L472-T474 VanDerWaalsContact CB-O 3.25Å; L472-T474 WeakPolarHBondContact CB-O 3.44Å; L472-T474 PolarHBondContact O-N 2.85Å
475	P	94.8	Very high	95.3	Very high	45 Å²	45	39.1 Å²	39.1	29%	0.292	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	151.3	175.9	-15.9	29.6	0	0	0	112.1	F353 T433 I434	F353-P475 HydrophobicContact CD1-CG 4.43Å; F353-P475 HydrophobicContact CD2-CG 4.12Å; F353-P475 HydrophobicContact CE1-CG 3.97Å; F353-P475 HydrophobicContact CE2-CG 3.61Å; F353-P475 HydrophobicContact CZ-CG 3.56Å; T433-P475 HydrophobicContact CG2-CB 3.46Å; T433-P475 VanDerWaalsContact CG2-CB 3.46Å; I434-P475 WeakPolarHBondContact O-CA 3.44Å
476	L	94.8	Very high	95.3	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.4	-175.6	176.7	61.4	0	0	0	110.4	I434 L472 V478 L484 L504 V506 T511 I513	I434-L476 HydrophobicContact CB-CB 4.27Å; I434-L476 WeakPolarHBondContact CB-O 3.36Å; I434-L476 PolarHBondContact N-O 3.45Å; I434-L476 PolarHBondContact O-N 3.38Å; L472-L476 HydrophobicContact CD1-CB 4.13Å; L476-V478 HydrophobicContact CG-CG1 4.32Å; L476-L484 HydrophobicContact CD2-CD1 3.65Å; L476-L504 HydrophobicContact CD2-CB 4.24Å; L476-V506 HydrophobicContact CD1-CG2 3.97Å; L476-V506 HydrophobicContact CD2-CG2 4.09Å; L476-V506 HydrophobicContact CG-CG2 4.26Å; L476-T511 HydrophobicContact CD1-CG2 3.49Å; L476-T511 VanDerWaalsContact CD1-CG2 3.49Å; L476-I513 HydrophobicContact CB-CG1 4.32Å; L476-I513 HydrophobicContact CD1-CG1 4.19Å; L476-I513 HydrophobicContact CD2-CG1 4.4Å
477	F	94.1	Very high	95.4	Very high	126 Å²	126	41.3 Å²	41.3	55%	0.553	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.8	175.4	-177.9	-97.5	0	0	0	111.2	Q479	F477-Q479 HydrophobicContact CE1-CG 3.81Å; F477-Q479 HydrophobicContact CZ-CG 4.41Å
478	V	93.9	Very high	95.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.4	177.7	-65.7	0	0	0	0	111.7	I428 C431 S432 I434 L476 V506	I428-V478 HydrophobicContact CD1-CG2 4.03Å; I428-V478 HydrophobicContact CG1-CB 4.08Å; I428-V478 HydrophobicContact CG1-CG2 3.97Å; I428-V478 HydrophobicContact CG2-CB 4.36Å; I428-V478 HydrophobicContact CG2-CG2 3.8Å; C431-V478 WeakPolarHBondContact CA-O 3.46Å; S432-V478 PolarHBondContact N-O 2.89Å; S432-V478 WeakPolarHBondContact O-CG2 3.43Å; S432-V478 PolarHBondContact O-N 3.47Å; I434-V478 HydrophobicContact CD1-CG2 3.61Å; I434-V478 HydrophobicContact CG1-CG1 4.12Å; I434-V478 HydrophobicContact CG1-CG2 3.71Å; L476-V478 HydrophobicContact CG-CG1 4.32Å; V478-V506 HydrophobicContact CG1-CG2 4.17Å
479	Q	94.2	Very high	95.5	Very high	112 Å²	112	41.5 Å²	41.5	52%	0.523	24%	0.235	S	C	.	.			trans	-102.1	155	177.4	-62.8	-177.5	1.6	0	0	111.7	I428 F477 Q482	I428-Q479 WeakPolarHBondContact CB-O 3.48Å; I428-Q479 VanDerWaalsContact CG2-O 3.27Å; I428-Q479 WeakPolarHBondContact CG2-O 3.47Å; F477-Q479 HydrophobicContact CE1-CG 3.81Å; F477-Q479 HydrophobicContact CZ-CG 4.41Å; Q479-Q482 HydrophobicContact CB-CB 4.45Å; Q479-Q482 WeakPolarHBondContact O-CB 3.46Å; Q479-Q482 PolarHBondContact O-N 3.07Å; Q479-Q482 VanDerWaalsContact O-N 3.12Å
480	E	94.9	Very high	95.4	Very high	137 Å²	137	41.3 Å²	41.3	64%	0.64	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	137.7	170.7	-175.6	176.5	157.3	0	0	111	C431 Q482	C431-E480 PolarHBondContact SG-N 2.87Å; E480-Q482 PolarHBondContact O-N 3.32Å
481	G	93.4	Very high	95.4	Very high	60 Å²	60	45 Å²	45	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	-1.8	-173.5	0	0	0	0	0	114.8	I428	I428-G481 PolarHBondContact O-N 3Å
482	Q	93.8	Very high	95.4	Very high	59 Å²	59	46 Å²	46	28%	0.276	26%	0.26	S	S	.	.			trans	-78.8	141.4	176.6	-162.7	166.4	32.8	0	0	111.1	I428 Q479 E480 V506	I428-Q482 WeakPolarHBondContact CB-O 3.36Å; I428-Q482 VanDerWaalsContact CG1-O 3.31Å; I428-Q482 WeakPolarHBondContact CG1-O 3.35Å; I428-Q482 PolarHBondContact N-O 3.45Å; Q479-Q482 HydrophobicContact CB-CB 4.45Å; Q479-Q482 WeakPolarHBondContact O-CB 3.46Å; Q479-Q482 PolarHBondContact O-N 3.07Å; Q479-Q482 VanDerWaalsContact O-N 3.12Å; E480-Q482 PolarHBondContact O-N 3.32Å; Q482-V506 HydrophobicContact CG-CG1 4.22Å
483	S	95.6	Very high	95.3	Very high	28 Å²	28	46.6 Å²	46.6	20%	0.196	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.2	170.4	-176.9	0	0	0	0	110.4	Y426 N485 P507	Y426-S483 WeakPolarHBondContact O-CA 3.41Å; S483-N485 PolarHBondContact OG-OD1 3.43Å; S483-P507 WeakPolarHBondContact O-CD 3.22Å
484	L	96.4	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112.4	172.6	176.1	64.7	0	0	0	108.7	P346 Y426 I428 I434 L476 L504 V506	P346-L484 HydrophobicContact CB-CD2 4.3Å; P346-L484 HydrophobicContact CG-CD2 4.45Å; Y426-L484 HydrophobicContact CD2-CB 4.41Å; Y426-L484 HydrophobicContact CD2-CD2 4.25Å; Y426-L484 HydrophobicContact CD2-CG 4.26Å; Y426-L484 WeakPolarHBondContact CD2-O 3.45Å; Y426-L484 PolarHBondContact N-O 2.99Å; Y426-L484 PolarHBondContact O-N 2.87Å; I428-L484 HydrophobicContact CD1-CB 4.11Å; I428-L484 HydrophobicContact CD1-CD2 4.15Å; I428-L484 HydrophobicContact CG1-CB 4.24Å; I434-L484 HydrophobicContact CG1-CD2 4.27Å; L476-L484 HydrophobicContact CD2-CD1 3.65Å; L484-L504 HydrophobicContact CD1-CB 4.31Å; L484-L504 HydrophobicContact CG-CD2 4.45Å; L484-V506 HydrophobicContact CD1-CG2 3.93Å
485	N	96.2	Very high	95.5	Very high	49 Å²	49	48.1 Å²	48.1	26%	0.262	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	166.3	-177.9	-71.9	-20.5	0	0	0	110.9	L424 N425 S483 L504 I505 P507	L424-N485 CarbonylContact O-C 3.53Å; L424-N485 WeakPolarHBondContact O-CA 3.34Å; N425-N485 PolarHBondContact ND2-OD1 2.89Å; N425-N485 VanDerWaalsContact ND2-OD1 3.17Å; S483-N485 PolarHBondContact OG-OD1 3.43Å; N485-L504 CarbonylContact O-C 3.23Å; N485-L504 WeakPolarHBondContact O-CA 3.47Å; N485-I505 PolarHBondContact N-O 3.39Å; N485-I505 PolarHBondContact O-N 3.2Å; N485-P507 HydrophobicContact CB-CG 4.31Å; N485-P507 WeakPolarHBondContact ND2-CG 3.19Å
486	G	95.9	Very high	95.4	Very high	17 Å²	17	46.1 Å²	46.1	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-157.7	177.1	0	0	0	0	0	114.2	L424 E503	L424-G486 PolarHBondContact N-O 2.76Å; L424-G486 PolarHBondContact O-N 2.81Å; G486-E503 CarbonylContact C-O 3.59Å; G486-E503 WeakPolarHBondContact CA-O 3.27Å
487	R	97.8	Very high	95.4	Very high	90 Å²	90	45.8 Å²	45.8	34%	0.34	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	154.6	171.6	60.2	-164.5	-65.6	-139.7	7.5	112	D421 I422 V489 E503	D421-R487 IonicContact OD1-CZ 3.7Å; D421-R487 IonicContact OD1-NE 3.42Å; D421-R487 PolarHBondContact OD1-NE 3.23Å; D421-R487 VanDerWaalsContact OD1-NE 3.1Å; D421-R487 IonicContact OD1-NH2 2.98Å; D421-R487 PolarHBondContact OD1-NH2 2.73Å; D421-R487 IonicContact OD2-CZ 2.87Å; D421-R487 IonicContact OD2-NH2 3.1Å; D421-R487 PolarHBondContact OD2-NH2 2.73Å; I422-R487 CarbonylContact O-C 3.05Å; I422-R487 WeakPolarHBondContact O-CA 2.98Å; I422-R487 WeakPolarHBondContact O-CB 3.41Å; R487-V489 HydrophobicContact CG-CG2 4.26Å; R487-V489 VanDerWaalsContact CZ-CG2 3.47Å; R487-E503 HydrophobicContact CG-CB 4.01Å; R487-E503 PolarHBondContact N-O 3.27Å; R487-E503 PolarHBondContact O-N 3.16Å
488	V	98.3	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.9	160.7	-169.8	0	0	0	0	108.4	I344 I422 L424 L437 F439 M490 V500 Q501 I502	I344-V488 HydrophobicContact CD1-CG2 4.04Å; I344-V488 HydrophobicContact CG2-CG2 4.37Å; I422-V488 HydrophobicContact CB-CB 4.42Å; I422-V488 PolarHBondContact N-O 3.37Å; I422-V488 PolarHBondContact O-N 3.26Å; L424-V488 HydrophobicContact CD1-CG2 3.89Å; L424-V488 HydrophobicContact CD2-CG2 4.32Å; L424-V488 HydrophobicContact CG-CG2 4.36Å; L437-V488 HydrophobicContact CD1-CG2 3.85Å; F439-V488 HydrophobicContact CE1-CG1 4.36Å; F439-V488 HydrophobicContact CE1-CG2 4.19Å; F439-V488 HydrophobicContact CZ-CG1 4.36Å; F439-V488 HydrophobicContact CZ-CG2 4.12Å; V488-M490 HydrophobicContact CG1-CG 4.06Å; V488-V500 HydrophobicContact CG1-CG1 3.89Å; V488-Q501 CarbonylContact C-O 3.59Å; V488-Q501 WeakPolarHBondContact CA-O 3.42Å; V488-I502 HydrophobicContact CG1-CG1 4.31Å; V488-I502 HydrophobicContact CG2-CG1 4.42Å
489	V	98.1	Very high	95.8	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.5	173.7	-168.2	0	0	0	0	108.2	I420 R487 H491 Q501	I420-V489 WeakPolarHBondContact O-CA 3.44Å; R487-V489 HydrophobicContact CG-CG2 4.26Å; R487-V489 VanDerWaalsContact CZ-CG2 3.47Å; V489-H491 WeakPolarHBondContact CG1-NE2 3.4Å; V489-Q501 HydrophobicContact CB-CB 4.39Å; V489-Q501 PolarHBondContact N-O 3.43Å; V489-Q501 PolarHBondContact O-N 2.73Å
490	M	98.2	Very high	95.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114	179.1	-57.5	-175.4	-71.5	0	0	109.2	M243 Y245 L342 I420 I422 V488 Y498 V500	M243-M490 HydrophobicContact CE-SD 3.87Å; Y245-M490 HydrophobicContact CD2-CE 3.56Å; Y245-M490 HydrophobicContact CD2-SD 4.38Å; Y245-M490 HydrophobicContact CE2-CE 3.59Å; L342-M490 HydrophobicContact CD2-CE 4.2Å; I420-M490 HydrophobicContact CB-CB 4.33Å; I420-M490 HydrophobicContact CB-CE 4.08Å; I420-M490 HydrophobicContact CD1-CE 3.97Å; I420-M490 HydrophobicContact CG2-CE 3.84Å; I420-M490 PolarHBondContact N-O 2.94Å; I420-M490 PolarHBondContact O-N 2.98Å; I422-M490 HydrophobicContact CD1-CE 3.8Å; V488-M490 HydrophobicContact CG1-CG 4.06Å; M490-Y498 HydrophobicContact CB-CD1 3.71Å; M490-Y498 HydrophobicContact CB-CE1 4.48Å; M490-Y498 HydrophobicContact CB-CG 4.27Å; M490-V500 HydrophobicContact CG-CG1 4.16Å; M490-V500 HydrophobicContact CG-CG2 4.08Å; M490-V500 HydrophobicContact SD-CG2 4.39Å
491	H	97.6	Very high	96.1	Very high	78 Å²	78	35.3 Å²	35.3	36%	0.361	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127	178.6	-67.8	-50.9	0	0	0	110.6	S419 V489 N493 Y498 D499	S419-H491 PolarHBondContact OG-CE1 2.77Å; S419-H491 VanDerWaalsContact OG-CE1 3.32Å; S419-H491 PolarHBondContact OG-ND1 2.82Å; S419-H491 VanDerWaalsContact OG-ND1 3.13Å; V489-H491 WeakPolarHBondContact CG1-NE2 3.4Å; H491-N493 PolarHBondContact O-N 3.13Å; H491-Y498 VanDerWaalsContact O-CA 3.3Å; H491-Y498 WeakPolarHBondContact O-CA 3.38Å; H491-D499 PolarHBondContact N-O 2.84Å; H491-D499 PolarHBondContact O-N 3.05Å
492	A	97	Very high	96.3	Very high	21 Å²	21	32.5 Å²	32.5	17%	0.174	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.4	-171.8	0	0	0	0	0	112	R248 S418 Y498	R248-A492 VanDerWaalsContact CZ-CB 3.44Å; R248-A492 PolarHBondContact NH1-O 3.14Å; S418-A492 WeakPolarHBondContact O-CB 3.49Å; S418-A492 PolarHBondContact O-N 2.89Å; A492-Y498 HydrophobicContact CB-CD1 3.95Å; A492-Y498 HydrophobicContact CB-CE1 3.49Å; A492-Y498 VanDerWaalsContact CB-CE1 3.49Å; A492-Y498 HydrophobicContact CB-CE2 4.48Å
493	N	94.6	Very high	96.4	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	165.1	-175.3	74.7	36.7	0	0	0	112.8	R248 H491 R495 S497 D499	R248-N493 PolarHBondContact NH1-O 2.58Å; H491-N493 PolarHBondContact O-N 3.13Å; N493-R495 PolarHBondContact ND2-NH2 3.24Å; N493-R495 PolarHBondContact O-N 2.91Å; N493-R495 WeakPolarHBondContact OD1-CA 3.47Å; N493-R495 WeakPolarHBondContact OD1-CB 3.42Å; N493-R495 PolarHBondContact OD1-N 2.83Å; N493-S497 PolarHBondContact N-O 3.25Å; N493-S497 PolarHBondContact OD1-N 3.07Å; N493-S497 PolarHBondContact OD1-O 3.39Å; N493-D499 PolarHBondContact ND2-OD1 2.76Å
494	S	93.6	Very high	96.4	Very high	67 Å²	67	30.3 Å²	30.3	47%	0.469	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.9	-177.3	56.8	0	0	0	0	114.4	R120 T121 D122 Q496	R120-S494 WeakPolarHBondContact O-CA 3.46Å; T121-S494 WeakPolarHBondContact CA-O 3.16Å; D122-S494 PolarHBondContact N-O 3.31Å; S494-Q496 PolarHBondContact O-N 2.97Å
495	R	92.1	Very high	96.4	Very high	91 Å²	91	33 Å²	33	34%	0.343	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	22.6	-178.1	-57.2	174.2	-67.5	139.8	8.7	112.4	S125 N493 S497 D499 D518 K520	S125-R495 VanDerWaalsContact OG-C 3.3Å; S125-R495 PolarHBondContact OG-O 3.35Å; N493-R495 PolarHBondContact ND2-NH2 3.24Å; N493-R495 PolarHBondContact O-N 2.91Å; N493-R495 WeakPolarHBondContact OD1-CA 3.47Å; N493-R495 WeakPolarHBondContact OD1-CB 3.42Å; N493-R495 PolarHBondContact OD1-N 2.83Å; R495-S497 VanDerWaalsContact C-N 3.34Å; R495-S497 PolarHBondContact O-N 3.24Å; R495-D499 IonicContact NH2-OD1 3.41Å; R495-D518 IonicContact CZ-OD1 2.79Å; R495-D518 IonicContact CZ-OD2 3.55Å; R495-D518 IonicContact NH1-OD1 3.54Å; R495-D518 IonicContact NH1-OD2 3.55Å; R495-D518 PolarHBondContact NH1-OD2 2.86Å; R495-D518 IonicContact NH2-OD1 3.87Å; R495-D518 PolarHBondContact NH2-OD1 2.95Å; R495-D518 IonicContact NH2-OD2 2.76Å; R495-D518 PolarHBondContact NH2-OD2 3.1Å; R495-K520 HydrophobicContact CB-CD 4.36Å; R495-K520 HydrophobicContact CB-CG 4.14Å; R495-K520 VanDerWaalsContact O-CD 3.31Å; R495-K520 WeakPolarHBondContact O-CD 3.01Å; R495-K520 WeakPolarHBondContact O-CE 3.43Å; R495-K520 PolarHBondContact O-NZ 3.13Å
496	Q	92.5	Very high	96.2	Very high	3 Å²	3	31 Å²	31	1%	0.014	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	44.8	-173.8	-65.2	168.6	-96.3	0	0	112.8	T121 S125 Y129 E247 S494	T121-Q496 HydrophobicContact CG2-CG 3.54Å; S125-Q496 PolarHBondContact O-OE1 3.36Å; S125-Q496 PolarHBondContact OG-OE1 3.41Å; Y129-Q496 VanDerWaalsContact CD1-NE2 3.34Å; E247-Q496 CarbonylContact C-O 3.47Å; E247-Q496 WeakPolarHBondContact CA-O 3.48Å; E247-Q496 PolarHBondContact N-O 3.39Å; E247-Q496 VanDerWaalsContact N-O 3.1Å; S494-Q496 PolarHBondContact O-N 2.97Å
497	S	96.2	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	-165	176.3	-161	0	0	0	0	110.8	N246 N493 R495 L519 K520	N246-S497 WeakPolarHBondContact OD1-CB 3.17Å; N246-S497 PolarHBondContact OD1-OG 3.07Å; N493-S497 PolarHBondContact N-O 3.25Å; N493-S497 PolarHBondContact OD1-N 3.07Å; N493-S497 PolarHBondContact OD1-O 3.39Å; R495-S497 VanDerWaalsContact C-N 3.34Å; R495-S497 PolarHBondContact O-N 3.24Å; S497-L519 WeakPolarHBondContact OG-CB 3.42Å; S497-L519 PolarHBondContact OG-O 3.28Å; S497-K520 PolarHBondContact OG-N 2.96Å; S497-K520 VanDerWaalsContact OG-N 3.12Å
498	Y	97.8	Very high	95.4	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.5	-178.5	-70.4	-101.8	0	0	0	111.1	Y245 R248 L417 I420 M490 H491 A492 L519	Y245-Y498 WeakPolarHBondContact O-CE2 3.34Å; R248-Y498 HydrophobicContact CG-CD2 4.39Å; R248-Y498 HydrophobicContact CG-CE2 3.63Å; L417-Y498 VanDerWaalsContact O-CE1 3.27Å; L417-Y498 WeakPolarHBondContact O-CE1 3.43Å; L417-Y498 PolarHBondContact O-OH 2.71Å; I420-Y498 HydrophobicContact CD1-CE1 3.86Å; M490-Y498 HydrophobicContact CB-CD1 3.71Å; M490-Y498 HydrophobicContact CB-CE1 4.48Å; M490-Y498 HydrophobicContact CB-CG 4.27Å; H491-Y498 VanDerWaalsContact O-CA 3.3Å; H491-Y498 WeakPolarHBondContact O-CA 3.38Å; A492-Y498 HydrophobicContact CB-CD1 3.95Å; A492-Y498 HydrophobicContact CB-CE1 3.49Å; A492-Y498 VanDerWaalsContact CB-CE1 3.49Å; A492-Y498 HydrophobicContact CB-CE2 4.48Å; Y498-L519 VanDerWaalsContact O-CB 3.31Å; Y498-L519 WeakPolarHBondContact O-CB 3.25Å; Y498-L519 PolarHBondContact O-N 2.87Å; Y498-L519 VanDerWaalsContact O-N 3.13Å
499	D	97	Very high	94.8	Very high	63 Å²	63	35.7 Å²	35.7	34%	0.337	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.9	162.9	-49	-37.3	0	0	0	106.2	H491 N493 R495	H491-D499 PolarHBondContact N-O 2.84Å; H491-D499 PolarHBondContact O-N 3.05Å; N493-D499 PolarHBondContact ND2-OD1 2.76Å; R495-D499 IonicContact NH2-OD1 3.41Å
500	V	97.7	Very high	94.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.1	-167.1	179.6	0	0	0	0	110.1	M243 V488 M490 I502 S516 L517 L519	M243-V500 HydrophobicContact CE-CG1 4.23Å; M243-V500 HydrophobicContact CE-CG2 4.42Å; V488-V500 HydrophobicContact CG1-CG1 3.89Å; M490-V500 HydrophobicContact CG-CG1 4.16Å; M490-V500 HydrophobicContact CG-CG2 4.08Å; M490-V500 HydrophobicContact SD-CG2 4.39Å; V500-I502 HydrophobicContact CG1-CG1 4.41Å; V500-S516 CarbonylContact O-C 3.46Å; V500-S516 WeakPolarHBondContact O-CA 3.35Å; V500-L517 HydrophobicContact CB-CB 4.46Å; V500-L517 PolarHBondContact N-O 2.93Å; V500-L517 PolarHBondContact O-N 2.77Å; V500-L519 HydrophobicContact CG2-CB 4.14Å; V500-L519 HydrophobicContact CG2-CD2 4.5Å
501	Q	97.4	Very high	93.7	Very high	90 Å²	90	47.8 Å²	47.8	42%	0.421	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.7	175.7	-64.2	179.4	-5	0	0	110	V488 V489 N515	V488-Q501 CarbonylContact C-O 3.59Å; V488-Q501 WeakPolarHBondContact CA-O 3.42Å; V489-Q501 HydrophobicContact CB-CB 4.39Å; V489-Q501 PolarHBondContact N-O 3.43Å; V489-Q501 PolarHBondContact O-N 2.73Å; Q501-N515 WeakPolarHBondContact CA-O 3.34Å
502	I	97.6	Very high	93.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.6	174.9	-64.5	173.5	0	0	0	107.8	L437 F439 C470 L472 V488 V500 L504 V514 N515 L517	L437-I502 HydrophobicContact CB-CD1 4.38Å; L437-I502 HydrophobicContact CD1-CD1 4.2Å; L437-I502 HydrophobicContact CD1-CG1 4.31Å; L437-I502 HydrophobicContact CD1-CG2 3.6Å; L437-I502 HydrophobicContact CG-CG2 4.21Å; F439-I502 HydrophobicContact CE2-CD1 4.34Å; F439-I502 HydrophobicContact CZ-CD1 4.26Å; C470-I502 HydrophobicContact CB-CD1 3.49Å; C470-I502 VanDerWaalsContact CB-CD1 3.49Å; L472-I502 HydrophobicContact CD2-CG2 4.15Å; V488-I502 HydrophobicContact CG1-CG1 4.31Å; V488-I502 HydrophobicContact CG2-CG1 4.42Å; V500-I502 HydrophobicContact CG1-CG1 4.41Å; I502-L504 HydrophobicContact CG2-CG 4.28Å; I502-V514 CarbonylContact O-C 3.55Å; I502-V514 VanDerWaalsContact O-CA 3.23Å; I502-V514 WeakPolarHBondContact O-CA 3.24Å; I502-N515 PolarHBondContact N-O 3.08Å; I502-N515 PolarHBondContact O-N 3.24Å; I502-L517 HydrophobicContact CD1-CD1 3.8Å; I502-L517 HydrophobicContact CG1-CD1 4.28Å
503	E	96.4	Very high	93.2	Very high	41 Å²	41	49.6 Å²	49.6	19%	0.192	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.9	172.6	169.5	176.3	-176.7	0	0	108.8	G486 R487 I505 K512 I513 V514	G486-E503 CarbonylContact C-O 3.59Å; G486-E503 WeakPolarHBondContact CA-O 3.27Å; R487-E503 HydrophobicContact CG-CB 4.01Å; R487-E503 PolarHBondContact N-O 3.27Å; R487-E503 PolarHBondContact O-N 3.16Å; E503-I505 HydrophobicContact CG-CG1 4.38Å; E503-K512 VanDerWaalsContact CD-NZ 3.26Å; E503-K512 HydrophobicContact CG-CD 4.49Å; E503-K512 WeakPolarHBondContact OE1-CE 3.32Å; E503-K512 IonicContact OE1-NZ 2.76Å; E503-K512 PolarHBondContact OE1-NZ 2.89Å; E503-K512 IonicContact OE2-NZ 3.78Å; E503-I513 WeakPolarHBondContact CA-O 3.38Å; E503-V514 HydrophobicContact CB-CG2 4.35Å; E503-V514 HydrophobicContact CG-CG2 4.36Å
504	L	97	Very high	93.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.3	176.2	-68.3	178.1	0	0	0	110.3	L424 L437 L472 L476 L484 N485 I502 K512 I513	L424-L504 HydrophobicContact CD1-CD2 3.91Å; L437-L504 HydrophobicContact CD2-CD1 4.19Å; L437-L504 HydrophobicContact CD2-CD2 4.38Å; L437-L504 HydrophobicContact CG-CD1 4.44Å; L472-L504 HydrophobicContact CD1-CD1 3.96Å; L472-L504 HydrophobicContact CD2-CD1 3.9Å; L476-L504 HydrophobicContact CD2-CB 4.24Å; L484-L504 HydrophobicContact CD1-CB 4.31Å; L484-L504 HydrophobicContact CG-CD2 4.45Å; N485-L504 CarbonylContact O-C 3.23Å; N485-L504 WeakPolarHBondContact O-CA 3.47Å; I502-L504 HydrophobicContact CG2-CG 4.28Å; L504-K512 CarbonylContact O-C 3.49Å; L504-K512 WeakPolarHBondContact O-CA 3.25Å; L504-I513 PolarHBondContact N-O 3.02Å; L504-I513 PolarHBondContact O-N 3.3Å
505	I	95.1	Very high	93.2	Very high	58 Å²	58	50.5 Å²	50.5	30%	0.297	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	129.2	-176.4	-52.3	176.1	0	0	0	108.5	N485 E503 P507 K512	N485-I505 PolarHBondContact N-O 3.39Å; N485-I505 PolarHBondContact O-N 3.2Å; E503-I505 HydrophobicContact CG-CG1 4.38Å; I505-P507 WeakPolarHBondContact O-CD 3.48Å; I505-K512 HydrophobicContact CD1-CD 4.41Å; I505-K512 HydrophobicContact CG1-CB 4.25Å; I505-K512 HydrophobicContact CG1-CD 4.36Å; I505-K512 HydrophobicContact CG1-CG 4.18Å
506	V	93.1	Very high	93.3	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.036	28%	0.283	C	S	.	.			trans	-90	110.6	167.9	172.2	0	0	0	0	108.4	L476 V478 Q482 L484 S509 T511	L476-V506 HydrophobicContact CD1-CG2 3.97Å; L476-V506 HydrophobicContact CD2-CG2 4.09Å; L476-V506 HydrophobicContact CG-CG2 4.26Å; V478-V506 HydrophobicContact CG1-CG2 4.17Å; Q482-V506 HydrophobicContact CG-CG1 4.22Å; L484-V506 HydrophobicContact CD1-CG2 3.93Å; V506-S509 WeakPolarHBondContact CB-OG 3.44Å; V506-S509 PolarHBondContact O-N 2.84Å; V506-S509 VanDerWaalsContact O-N 3.17Å; V506-S509 PolarHBondContact O-OG 2.91Å; V506-T511 PolarHBondContact N-O 2.77Å
507	P	90.1	Very high	93.5	Very high	61 Å²	61	48.8 Å²	48.8	40%	0.396	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	142.7	-177.4	-22.3	35.4	0	0	0	112	S483 N485 I505 S509	S483-P507 WeakPolarHBondContact O-CD 3.22Å; N485-P507 HydrophobicContact CB-CG 4.31Å; N485-P507 WeakPolarHBondContact ND2-CG 3.19Å; I505-P507 WeakPolarHBondContact O-CD 3.48Å; P507-S509 PolarHBondContact O-N 2.82Å
508	G	85.7	Confident	93.3	Very high	96 Å²	96	50.4 Å²	50.4	99%	0.99	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	4.2	-174.5	0	0	0	0	0	114.7
509	S	85.4	Confident	93.2	Very high	49 Å²	49	50.4 Å²	50.4	34%	0.343	29%	0.292	S	S	.	.	S	Bend	trans	-122.9	161.3	171.8	81	0	0	0	0	111.6	V506 P507 T511	V506-S509 WeakPolarHBondContact CB-OG 3.44Å; V506-S509 PolarHBondContact O-N 2.84Å; V506-S509 VanDerWaalsContact O-N 3.17Å; V506-S509 PolarHBondContact O-OG 2.91Å; P507-S509 PolarHBondContact O-N 2.82Å; S509-T511 PolarHBondContact O-N 2.92Å; S509-T511 WeakPolarHBondContact OG-CB 3.46Å; S509-T511 PolarHBondContact OG-N 2.86Å; S509-T511 VanDerWaalsContact OG-N 3.11Å
510	E	85.1	Confident	93	Very high	201 Å²	201	49.5 Å²	49.5	94%	0.939	29%	0.285	S	S	*	.	S	Bend	trans	-77.6	0.3	169.1	-59.8	-175.4	164.3	0	0	112.6	K512	E510-K512 PolarHBondContact O-N 3.33Å; E510-K512 VanDerWaalsContact O-N 3.14Å
511	T	88	Confident	92.7	Very high	63 Å²	63	51.8 Å²	51.8	39%	0.387	30%	0.297	S	S	.	.			trans	-81.4	99.1	-173	-50.4	0	0	0	0	111.9	L476 V506 S509 I513	L476-T511 HydrophobicContact CD1-CG2 3.49Å; L476-T511 VanDerWaalsContact CD1-CG2 3.49Å; V506-T511 PolarHBondContact N-O 2.77Å; S509-T511 PolarHBondContact O-N 2.92Å; S509-T511 WeakPolarHBondContact OG-CB 3.46Å; S509-T511 PolarHBondContact OG-N 2.86Å; S509-T511 VanDerWaalsContact OG-N 3.11Å; T511-I513 HydrophobicContact CG2-CD1 4.17Å; T511-I513 HydrophobicContact CG2-CG1 4.31Å
512	K	91	Very high	92.6	Very high	114 Å²	114	48.3 Å²	48.3	50%	0.496	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.8	166	168.3	169.1	165.9	162.3	0	110.1	E503 L504 I505 E510 V514	E503-K512 VanDerWaalsContact CD-NZ 3.26Å; E503-K512 HydrophobicContact CG-CD 4.49Å; E503-K512 WeakPolarHBondContact OE1-CE 3.32Å; E503-K512 IonicContact OE1-NZ 2.76Å; E503-K512 PolarHBondContact OE1-NZ 2.89Å; E503-K512 IonicContact OE2-NZ 3.78Å; L504-K512 CarbonylContact O-C 3.49Å; L504-K512 WeakPolarHBondContact O-CA 3.25Å; I505-K512 HydrophobicContact CD1-CD 4.41Å; I505-K512 HydrophobicContact CG1-CB 4.25Å; I505-K512 HydrophobicContact CG1-CD 4.36Å; I505-K512 HydrophobicContact CG1-CG 4.18Å; E510-K512 PolarHBondContact O-N 3.33Å; E510-K512 VanDerWaalsContact O-N 3.14Å; K512-V514 HydrophobicContact CG-CG2 4.18Å
513	I	93.4	Very high	92.4	Very high	24 Å²	24	50.7 Å²	50.7	12%	0.123	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.4	175.3	-54.3	-58.7	0	0	0	109.2	L472 L476 E503 L504 T511	L472-I513 HydrophobicContact CB-CG2 4Å; L472-I513 HydrophobicContact CD1-CG2 4.11Å; L472-I513 HydrophobicContact CD2-CG2 4.36Å; L472-I513 HydrophobicContact CG-CG2 4.37Å; L476-I513 HydrophobicContact CB-CG1 4.32Å; L476-I513 HydrophobicContact CD1-CG1 4.19Å; L476-I513 HydrophobicContact CD2-CG1 4.4Å; E503-I513 WeakPolarHBondContact CA-O 3.38Å; L504-I513 PolarHBondContact N-O 3.02Å; L504-I513 PolarHBondContact O-N 3.3Å; T511-I513 HydrophobicContact CG2-CD1 4.17Å; T511-I513 HydrophobicContact CG2-CG1 4.31Å
514	V	93.3	Very high	92.3	Very high	82 Å²	82	52.1 Å²	52.1	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.1	177.8	-179.1	0	0	0	0	109.6	I502 E503 K512	I502-V514 CarbonylContact O-C 3.55Å; I502-V514 VanDerWaalsContact O-CA 3.23Å; I502-V514 WeakPolarHBondContact O-CA 3.24Å; E503-V514 HydrophobicContact CB-CG2 4.35Å; E503-V514 HydrophobicContact CG-CG2 4.36Å; K512-V514 HydrophobicContact CG-CG2 4.18Å
515	N	94.8	Very high	92.1	Very high	16 Å²	16	55.4 Å²	55.4	9%	0.086	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.9	165.7	-164.4	16.7	0	0	0	111.1	F385 N386 L471 Q501 I502 L517	F385-N515 PolarHBondContact O-ND2 2.95Å; N386-N515 PolarHBondContact OD1-OD1 2.86Å; L471-N515 PolarHBondContact O-ND2 2.83Å; Q501-N515 WeakPolarHBondContact CA-O 3.34Å; I502-N515 PolarHBondContact N-O 3.08Å; I502-N515 PolarHBondContact O-N 3.24Å; N515-L517 HydrophobicContact CB-CD1 4.31Å
516	S	95.4	Very high	91.8	Very high	54 Å²	54	57.1 Å²	57.1	38%	0.378	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	109.1	-178.9	-174.7	0	0	0	0	110.9	N386 V500	N386-S516 PolarHBondContact ND2-O 2.85Å; N386-S516 PolarHBondContact OD1-O 2.79Å; V500-S516 CarbonylContact O-C 3.46Å; V500-S516 WeakPolarHBondContact O-CA 3.35Å
517	L	95.9	Very high	91.5	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.6	-171.6	-55.5	97	0	0	0	112.5	N386 P388 C470 V500 I502 N515	N386-L517 CarbonylContact O-C 3.56Å; N386-L517 VanDerWaalsContact O-CA 3.24Å; N386-L517 WeakPolarHBondContact O-CA 3.48Å; N386-L517 WeakPolarHBondContact O-CB 3.33Å; P388-L517 HydrophobicContact CG-CB 4.04Å; P388-L517 HydrophobicContact CG-CD2 4.26Å; C470-L517 HydrophobicContact CB-CD1 4.04Å; C470-L517 HydrophobicContact CB-CD2 3.64Å; V500-L517 HydrophobicContact CB-CB 4.46Å; V500-L517 PolarHBondContact N-O 2.93Å; V500-L517 PolarHBondContact O-N 2.77Å; I502-L517 HydrophobicContact CD1-CD1 3.8Å; I502-L517 HydrophobicContact CG1-CD1 4.28Å; N515-L517 HydrophobicContact CB-CD1 4.31Å
518	D	93.1	Very high	91.2	Very high	35 Å²	35	61.8 Å²	61.8	19%	0.187	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.2	176.3	-178.7	10.5	0	0	0	111.1	N386 P388 R495 K520 N521	N386-D518 PolarHBondContact O-N 3.39Å; P388-D518 VanDerWaalsContact CD-O 3.32Å; P388-D518 WeakPolarHBondContact CD-O 3.41Å; R495-D518 IonicContact CZ-OD1 2.79Å; R495-D518 IonicContact CZ-OD2 3.55Å; R495-D518 IonicContact NH1-OD1 3.54Å; R495-D518 IonicContact NH1-OD2 3.55Å; R495-D518 PolarHBondContact NH1-OD2 2.86Å; R495-D518 IonicContact NH2-OD1 3.87Å; R495-D518 PolarHBondContact NH2-OD1 2.95Å; R495-D518 IonicContact NH2-OD2 2.76Å; R495-D518 PolarHBondContact NH2-OD2 3.1Å; D518-K520 PolarHBondContact O-N 2.86Å; D518-K520 VanDerWaalsContact O-N 3.08Å; D518-K520 WeakPolarHBondContact OD1-CB 3.49Å; D518-K520 PolarHBondContact OD1-N 3.32Å; D518-N521 PolarHBondContact O-N 3.39Å
519	L	95	Very high	91	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.6	180	-170.5	58.4	0	0	0	113.2	M243 N246 P388 S497 Y498 V500	M243-L519 HydrophobicContact CB-CD2 4.26Å; M243-L519 HydrophobicContact CG-CD1 4.27Å; M243-L519 HydrophobicContact SD-CD1 3.79Å; M243-L519 HydrophobicContact SD-CD2 4.33Å; N246-L519 HydrophobicContact CB-CD2 3.93Å; N246-L519 HydrophobicContact CB-CG 4.04Å; P388-L519 HydrophobicContact CB-CD1 4.34Å; P388-L519 HydrophobicContact CG-CD1 4.16Å; S497-L519 WeakPolarHBondContact OG-CB 3.42Å; S497-L519 PolarHBondContact OG-O 3.28Å; Y498-L519 VanDerWaalsContact O-CB 3.31Å; Y498-L519 WeakPolarHBondContact O-CB 3.25Å; Y498-L519 PolarHBondContact O-N 2.87Å; Y498-L519 VanDerWaalsContact O-N 3.13Å; V500-L519 HydrophobicContact CG2-CB 4.14Å; V500-L519 HydrophobicContact CG2-CD2 4.5Å
520	K	93.1	Very high	90.9	Very high	44 Å²	44	68.2 Å²	68.2	19%	0.191	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-18.5	171.4	-167.9	57.3	174.8	-160	0	113.2	R495 S497 D518 P522	R495-K520 HydrophobicContact CB-CD 4.36Å; R495-K520 HydrophobicContact CB-CG 4.14Å; R495-K520 VanDerWaalsContact O-CD 3.31Å; R495-K520 WeakPolarHBondContact O-CD 3.01Å; R495-K520 WeakPolarHBondContact O-CE 3.43Å; R495-K520 PolarHBondContact O-NZ 3.13Å; S497-K520 PolarHBondContact OG-N 2.96Å; S497-K520 VanDerWaalsContact OG-N 3.12Å; D518-K520 PolarHBondContact O-N 2.86Å; D518-K520 VanDerWaalsContact O-N 3.08Å; D518-K520 WeakPolarHBondContact OD1-CB 3.49Å; D518-K520 PolarHBondContact OD1-N 3.32Å; K520-P522 WeakPolarHBondContact O-CD 3.5Å
521	N	91.7	Very high	90.8	Very high	49 Å²	49	61.1 Å²	61.1	26%	0.262	32%	0.322	S	S	.	.	S	Bend	trans	-121.6	55.4	-174.3	-172.4	29.4	0	0	0	113.2	Q387 D518 F658	Q387-N521 PolarHBondContact NE2-ND2 3.33Å; Q387-N521 PolarHBondContact NE2-O 2.83Å; Q387-N521 PolarHBondContact NE2-OD1 2.87Å; D518-N521 PolarHBondContact O-N 3.39Å; N521-F658 PolarHBondContact OD1-O 3.38Å
522	P	94.3	Very high	90.5	Very high	17 Å²	17	62.1 Å²	62.1	11%	0.11	34%	0.336	C	S	.	.			trans	-70.2	146.7	-178.3	30.6	-35.7	0	0	0	112.7	P388 V390 K520 F524	P388-P522 CarbonylContact O-C 3.48Å; P388-P522 WeakPolarHBondContact O-CA 3.5Å; P388-P522 WeakPolarHBondContact O-CB 3.5Å; V390-P522 HydrophobicContact CG2-CB 3.79Å; K520-P522 WeakPolarHBondContact O-CD 3.5Å; P522-F524 HydrophobicContact CG-CE2 3.97Å; P522-F524 HydrophobicContact CG-CZ 4.02Å
523	H	94.2	Very high	90	Very high	51 Å²	51	58.8 Å²	58.8	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.6	171.2	-179.3	44.4	0	0	0	110.6	K359 Q387 P388 I389 V390 R525	K359-H523 PolarHBondContact NZ-CD2 2.9Å; K359-H523 PolarHBondContact NZ-NE2 2.81Å; Q387-H523 HydrophobicContact CB-CB 4.17Å; P388-H523 PolarHBondContact O-N 2.91Å; I389-H523 WeakPolarHBondContact CA-O 3.49Å; I389-H523 HydrophobicContact CG1-CB 4.47Å; V390-H523 PolarHBondContact N-O 2.72Å; H523-R525 PolarHBondContact O-N 3.42Å
524	F	93.1	Very high	89.3	Confident	70 Å²	70	59.1 Å²	59.1	31%	0.307	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.7	172.9	-64.4	-79.5	0	0	0	110.4	Y242 V390 P522	Y242-F524 HydrophobicContact CE1-CE1 4.28Å; Y242-F524 HydrophobicContact CE2-CE1 4.07Å; Y242-F524 AromaticContact CE2-CZ 3.83Å; Y242-F524 HydrophobicContact CE2-CZ 3.83Å; Y242-F524 AromaticContact CZ-CE1 3.66Å; Y242-F524 AromaticContact CZ-CZ 3.87Å; Y242-F524 WeakPolarHBondContact OH-CE1 3.42Å; V390-F524 HydrophobicContact CB-CD1 3.8Å; V390-F524 HydrophobicContact CB-CE1 3.99Å; V390-F524 HydrophobicContact CG1-CD1 3.88Å; V390-F524 HydrophobicContact CG1-CE1 3.9Å; V390-F524 HydrophobicContact CG2-CD1 4.4Å; V390-F524 HydrophobicContact CG2-CE1 4.18Å; P522-F524 HydrophobicContact CG-CE2 3.97Å; P522-F524 HydrophobicContact CG-CZ 4.02Å
525	R	93.1	Very high	88.5	Confident	70 Å²	70	61.8 Å²	61.8	26%	0.264	35%	0.349	S	S	.	.			trans	-119.8	-14.7	-174.1	179	173.6	-177.2	-85.5	0.1	113.9	L352 E355 I389 V390 D391 H523 N527	L352-R525 VanDerWaalsContact CD1-CD 3.41Å; L352-R525 VanDerWaalsContact CD1-NE 3.31Å; E355-R525 IonicContact OE1-NE 2.82Å; E355-R525 PolarHBondContact OE1-NE 3.31Å; E355-R525 IonicContact OE2-CZ 2.65Å; E355-R525 IonicContact OE2-NE 2.71Å; E355-R525 PolarHBondContact OE2-NE 3.41Å; E355-R525 IonicContact OE2-NH2 3.93Å; E355-R525 PolarHBondContact OE2-NH2 2.92Å; I389-R525 HydrophobicContact CG2-CB 3.68Å; I389-R525 HydrophobicContact CG2-CG 4.35Å; V390-R525 PolarHBondContact O-N 2.76Å; D391-R525 HydrophobicContact CB-CB 4.03Å; D391-R525 HydrophobicContact CB-CG 4.42Å; D391-R525 WeakPolarHBondContact OD2-CD 3.5Å; D391-R525 IonicContact OD2-CZ 2.71Å; D391-R525 IonicContact OD2-NE 2.71Å; D391-R525 IonicContact OD2-NH1 3.44Å; D391-R525 PolarHBondContact OD2-NH1 2.8Å; H523-R525 PolarHBondContact O-N 3.42Å; R525-N527 PolarHBondContact O-N 2.79Å
526	Y	88.8	Confident	87.4	Confident	94 Å²	94	64.8 Å²	64.8	37%	0.369	38%	0.384	S	S	.	.			trans	-57.9	130.5	177	-178.2	-106.9	0	0	0	112.5	V390 T392 L462 Y466	V390-Y526 PolarHBondContact O-N 3.3Å; T392-Y526 HydrophobicContact CG2-CD2 3.92Å; T392-Y526 HydrophobicContact CG2-CE2 3.89Å; L462-Y526 HydrophobicContact CD2-CE1 4.5Å; L462-Y526 HydrophobicContact CD2-CE2 3.77Å; Y466-Y526 HydrophobicContact CD1-CD1 4.31Å; Y466-Y526 HydrophobicContact CD1-CD2 4.11Å; Y466-Y526 AromaticContact CD1-CG 3.88Å; Y466-Y526 HydrophobicContact CD1-CG 3.88Å; Y466-Y526 AromaticContact CE1-CD1 3.31Å; Y466-Y526 HydrophobicContact CE1-CD1 3.31Å; Y466-Y526 AromaticContact CE1-CD2 3.84Å; Y466-Y526 HydrophobicContact CE1-CD2 3.84Å; Y466-Y526 AromaticContact CE1-CE1 3.76Å; Y466-Y526 HydrophobicContact CE1-CE1 3.76Å; Y466-Y526 HydrophobicContact CE1-CE2 4.24Å; Y466-Y526 AromaticContact CE1-CG 3.32Å; Y466-Y526 HydrophobicContact CE1-CG 3.32Å; Y466-Y526 AromaticContact CZ-CD1 3.76Å
527	N	87.1	Confident	86.2	Confident	114 Å²	114	64.7 Å²	64.7	61%	0.61	38%	0.383	S	S	*	.			trans	-127.9	8.4	-171.3	64	7.3	0	0	0	113.7	R525 Y529	R525-N527 PolarHBondContact O-N 2.79Å; N527-Y529 VanDerWaalsContact C-N 3.33Å; N527-Y529 HydrophobicContact CB-CD2 4.45Å; N527-Y529 PolarHBondContact O-N 3.15Å; N527-Y529 PolarHBondContact OD1-N 3.34Å; N527-Y529 VanDerWaalsContact OD1-N 3.1Å
528	G	84.3	Confident	84.8	Confident	50 Å²	50	70.5 Å²	70.5	52%	0.515	41%	0.41	S	S	.	.	S	Bend	trans	83.6	-6.8	-179.8	0	0	0	0	0	116.1
529	Y	82.1	Confident	83.6	Confident	171 Å²	171	75.8 Å²	75.8	67%	0.671	44%	0.443	S	S	*	.	S	Bend	trans	-83.9	148.2	174.4	-69.3	-89.7	0	0	0	111	N527	N527-Y529 VanDerWaalsContact C-N 3.33Å; N527-Y529 HydrophobicContact CB-CD2 4.45Å; N527-Y529 PolarHBondContact O-N 3.15Å; N527-Y529 PolarHBondContact OD1-N 3.34Å; N527-Y529 VanDerWaalsContact OD1-N 3.1Å
530	P	81.6	Confident	82.2	Confident	110 Å²	110	83.4 Å²	83.4	71%	0.714	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-63.9	147.2	171.7	28.7	-35	0	0	0	110.3
531	P	82.8	Confident	81.4	Confident	51 Å²	51	83.4 Å²	83.4	33%	0.331	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-52.4	141.6	172.2	-29.5	37.2	0	0	0	113	T392 D394	T392-P531 HydrophobicContact CG2-CG 4.09Å; D394-P531 HydrophobicContact CB-CB 4.16Å
532	A	82	Confident	80.7	Confident	84 Å²	84	86 Å²	86	69%	0.694	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-74	129	165.6	0	0	0	0	0	108.8
533	P	81.3	Confident	80	Confident	44 Å²	44	89.2 Å²	89.2	29%	0.286	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-74.8	165.8	175.1	35.2	-37.8	0	0	0	110.5	S537	P533-S537 WeakPolarHBondContact CB-OG 3.06Å; P533-S537 WeakPolarHBondContact CG-OG 3.31Å
534	P	79.5	Confident	79.2	Confident	32 Å²	32	91.9 Å²	91.9	21%	0.208	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-56.7	148.3	-176.2	-25	32.6	0	0	0	113.7	G396 I397 G536 S537	G396-P534 VanDerWaalsContact O-CG 3.3Å; G396-P534 WeakPolarHBondContact O-CG 3.45Å; I397-P534 HydrophobicContact CG2-CG 4.08Å; P534-G536 PolarHBondContact O-N 3.36Å; P534-S537 WeakPolarHBondContact O-CB 3.4Å; P534-S537 PolarHBondContact O-N 2.79Å; P534-S537 PolarHBondContact O-OG 3.06Å
535	P	75.7	Confident	78.4	Confident	137 Å²	137	91.4 Å²	91.4	89%	0.89	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	132.5	170.2	-26.4	35.3	0	0	0	111.7
536	G	72	Confident	77.8	Confident	79 Å²	79	94.8 Å²	94.8	81%	0.814	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-11.6	-176	0	0	0	0	0	115.7	P534 H538	P534-G536 PolarHBondContact O-N 3.36Å; G536-H538 PolarHBondContact O-N 2.97Å
537	S	69.6	Low	77.5	Confident	52 Å²	52	96.9 Å²	96.9	36%	0.364	55%	0.554	S	S	.	*			trans	-68.5	-14.7	175.1	63.2	0	0	0	0	114.7	P533 P534 V539	P533-S537 WeakPolarHBondContact CB-OG 3.06Å; P533-S537 WeakPolarHBondContact CG-OG 3.31Å; P534-S537 WeakPolarHBondContact O-CB 3.4Å; P534-S537 PolarHBondContact O-N 2.79Å; P534-S537 PolarHBondContact O-OG 3.06Å; S537-V539 PolarHBondContact O-N 3.45Å; S537-V539 VanDerWaalsContact O-N 3.13Å
538	H	66.5	Low	77.1	Confident	126 Å²	126	93.7 Å²	93.7	58%	0.583	54%	0.543	S	S	*	.			trans	-75.7	99.8	-175.6	-64.4	-51.9	0	0	0	112.6	G536 R540	G536-H538 PolarHBondContact O-N 2.97Å; H538-R540 PolarHBondContact O-N 3.09Å; H538-R540 VanDerWaalsContact O-N 3.11Å
539	V	67	Low	77	Confident	146 Å²	146	96 Å²	96	89%	0.885	54%	0.543	S	S	*	.	S	Bend	trans	-72.6	10	170.9	-60.4	0	0	0	0	114.6	S537	S537-V539 PolarHBondContact O-N 3.45Å; S537-V539 VanDerWaalsContact O-N 3.13Å
540	R	66.3	Low	77	Confident	161 Å²	161	90.6 Å²	90.6	61%	0.608	53%	0.526	S	S	*	.	S	Bend	trans	-142.2	149.9	174.9	-66	-174.7	-173	174.2	2.2	109.1	H538 E544	H538-R540 PolarHBondContact O-N 3.09Å; H538-R540 VanDerWaalsContact O-N 3.11Å; R540-E544 HydrophobicContact CB-CB 4.46Å
541	S	77.3	Confident	77	Confident	44 Å²	44	88.4 Å²	88.4	31%	0.308	51%	0.513	S	S	.	.			trans	-65.3	154	174.1	63.9	0	0	0	0	112.1	T543 E544 T545	S541-T543 PolarHBondContact O-N 3.46Å; S541-E544 VanDerWaalsContact CB-OE2 3.32Å; S541-E544 WeakPolarHBondContact CB-OE2 3.3Å; S541-E544 PolarHBondContact N-OE2 3.23Å; S541-E544 PolarHBondContact O-N 3.41Å; S541-E544 WeakPolarHBondContact OG-CB 3.37Å; S541-E544 VanDerWaalsContact OG-CG 3.26Å; S541-E544 WeakPolarHBondContact OG-CG 3.38Å; S541-E544 PolarHBondContact OG-N 3.43Å; S541-E544 PolarHBondContact OG-OE2 3.41Å; S541-T545 PolarHBondContact O-N 3.37Å; S541-T545 VanDerWaalsContact O-N 3.08Å; S541-T545 PolarHBondContact O-OG1 3.28Å
542	P	75.2	Confident	76.8	Confident	103 Å²	103	88.1 Å²	88.1	67%	0.669	52%	0.515	S	S	*	.	H	α-helix	trans	-55.8	-32.7	167.8	-25.8	35.4	0	0	0	112.2	T545 Y546	P542-T545 PolarHBondContact O-N 3Å; P542-Y546 WeakPolarHBondContact O-CB 3.35Å; P542-Y546 PolarHBondContact O-N 3Å
543	T	80.3	Confident	76.7	Confident	85 Å²	85	89.8 Å²	89.8	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-48.1	177.1	-51	0	0	0	0	112.6	S541 T545 Y546 Y547	S541-T543 PolarHBondContact O-N 3.46Å; T543-T545 VanDerWaalsContact C-N 3.29Å; T543-T545 PolarHBondContact O-N 3.4Å; T543-Y546 PolarHBondContact O-N 3.3Å; T543-Y547 HydrophobicContact CG2-CD2 3.88Å; T543-Y547 HydrophobicContact CG2-CE2 3.61Å; T543-Y547 WeakPolarHBondContact O-CD2 3.41Å; T543-Y547 PolarHBondContact O-N 3.24Å
544	E	78.6	Confident	76.6	Confident	106 Å²	106	92.2 Å²	92.2	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-37.3	173.7	-73.1	160.8	111.8	0	0	111.7	R540 S541 Y547 A548	R540-E544 HydrophobicContact CB-CB 4.46Å; S541-E544 VanDerWaalsContact CB-OE2 3.32Å; S541-E544 WeakPolarHBondContact CB-OE2 3.3Å; S541-E544 PolarHBondContact N-OE2 3.23Å; S541-E544 PolarHBondContact O-N 3.41Å; S541-E544 WeakPolarHBondContact OG-CB 3.37Å; S541-E544 VanDerWaalsContact OG-CG 3.26Å; S541-E544 WeakPolarHBondContact OG-CG 3.38Å; S541-E544 PolarHBondContact OG-N 3.43Å; S541-E544 PolarHBondContact OG-OE2 3.41Å; E544-Y547 PolarHBondContact O-N 3.22Å; E544-A548 VanDerWaalsContact O-CB 3.24Å; E544-A548 WeakPolarHBondContact O-CB 3.44Å; E544-A548 PolarHBondContact O-N 3.31Å
545	T	75.8	Confident	76.4	Confident	60 Å²	60	96.4 Å²	96.4	37%	0.368	53%	0.533	S	S	.	.	H	α-helix	trans	-65.1	-41.8	176.9	-53.4	0	0	0	0	111.3	S541 P542 T543 A548 N549	S541-T545 PolarHBondContact O-N 3.37Å; S541-T545 VanDerWaalsContact O-N 3.08Å; S541-T545 PolarHBondContact O-OG1 3.28Å; P542-T545 PolarHBondContact O-N 3Å; T543-T545 VanDerWaalsContact C-N 3.29Å; T543-T545 PolarHBondContact O-N 3.4Å; T545-A548 PolarHBondContact O-N 3.07Å; T545-N549 VanDerWaalsContact O-CG 3.3Å; T545-N549 PolarHBondContact O-N 3.35Å; T545-N549 PolarHBondContact O-ND2 3.33Å
546	Y	80.7	Confident	76.3	Confident	142 Å²	142	96 Å²	96	56%	0.557	52%	0.518	S	S	*	.	H	α-helix	trans	-60.7	-50.5	172.8	174.9	-95.9	0	0	0	111.9	P542 T543 A548 N549 L550	P542-Y546 WeakPolarHBondContact O-CB 3.35Å; P542-Y546 PolarHBondContact O-N 3Å; T543-Y546 PolarHBondContact O-N 3.3Å; Y546-A548 PolarHBondContact O-N 3.21Å; Y546-N549 PolarHBondContact O-N 2.84Å; Y546-L550 HydrophobicContact CE1-CD2 4.39Å; Y546-L550 WeakPolarHBondContact O-CB 3.12Å; Y546-L550 PolarHBondContact O-N 2.99Å
547	Y	81.6	Confident	76.3	Confident	138 Å²	138	97.9 Å²	97.9	54%	0.541	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-34.8	179	-74.7	-60.1	0	0	0	113	T543 E544 L550 C551	T543-Y547 HydrophobicContact CG2-CD2 3.88Å; T543-Y547 HydrophobicContact CG2-CE2 3.61Å; T543-Y547 WeakPolarHBondContact O-CD2 3.41Å; T543-Y547 PolarHBondContact O-N 3.24Å; E544-Y547 PolarHBondContact O-N 3.22Å; Y547-L550 HydrophobicContact CD1-CD2 4.44Å; Y547-L550 PolarHBondContact O-N 3.14Å; Y547-C551 WeakPolarHBondContact O-CB 3.46Å; Y547-C551 PolarHBondContact O-N 3.01Å; Y547-C551 PolarHBondContact O-SG 3.31Å
548	A	78.7	Confident	76	Confident	46 Å²	46	100.8 Å²	100.8	38%	0.38	51%	0.514	S	S	.	.	H	α-helix	trans	-63.2	-44.3	173.9	0	0	0	0	0	111.8	E544 T545 Y546 C551 A552	E544-A548 VanDerWaalsContact O-CB 3.24Å; E544-A548 WeakPolarHBondContact O-CB 3.44Å; E544-A548 PolarHBondContact O-N 3.31Å; T545-A548 PolarHBondContact O-N 3.07Å; Y546-A548 PolarHBondContact O-N 3.21Å; A548-C551 PolarHBondContact O-N 2.95Å; A548-A552 WeakPolarHBondContact O-CB 3.23Å; A548-A552 PolarHBondContact O-N 3.12Å
549	N	82.1	Confident	75.7	Confident	98 Å²	98	101.5 Å²	101.5	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-40	175.2	-71.5	-16.3	0	0	0	111.8	T545 Y546 A552 Q553	T545-N549 VanDerWaalsContact O-CG 3.3Å; T545-N549 PolarHBondContact O-N 3.35Å; T545-N549 PolarHBondContact O-ND2 3.33Å; Y546-N549 PolarHBondContact O-N 2.84Å; N549-A552 PolarHBondContact O-N 3.42Å; N549-Q553 WeakPolarHBondContact O-CG 3.08Å; N549-Q553 PolarHBondContact O-N 3.17Å
550	L	81.5	Confident	75.1	Confident	58 Å²	58	101 Å²	101	30%	0.304	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-43.3	176.9	-162.6	72.7	0	0	0	111.8	Y546 Y547 Q553 Q554	Y546-L550 HydrophobicContact CE1-CD2 4.39Å; Y546-L550 WeakPolarHBondContact O-CB 3.12Å; Y546-L550 PolarHBondContact O-N 2.99Å; Y547-L550 HydrophobicContact CD1-CD2 4.44Å; Y547-L550 PolarHBondContact O-N 3.14Å; L550-Q553 PolarHBondContact O-N 2.82Å; L550-Q554 WeakPolarHBondContact O-CG 3.39Å; L550-Q554 PolarHBondContact O-N 3.34Å
551	C	82.1	Confident	74.6	Confident	65 Å²	65	101 Å²	101	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-40.8	173.4	-73.4	0	0	0	0	112.3	Y547 A548 Q554 Q555	Y547-C551 WeakPolarHBondContact O-CB 3.46Å; Y547-C551 PolarHBondContact O-N 3.01Å; Y547-C551 PolarHBondContact O-SG 3.31Å; A548-C551 PolarHBondContact O-N 2.95Å; C551-Q554 PolarHBondContact O-N 3.15Å; C551-Q555 WeakPolarHBondContact O-CG 3.36Å; C551-Q555 PolarHBondContact O-N 3.22Å
552	A	79.4	Confident	73.3	Confident	45 Å²	45	106.1 Å²	106.1	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-40.8	177.2	0	0	0	0	0	112.1	A548 N549 Q555 Q556	A548-A552 WeakPolarHBondContact O-CB 3.23Å; A548-A552 PolarHBondContact O-N 3.12Å; N549-A552 PolarHBondContact O-N 3.42Å; A552-Q555 PolarHBondContact O-N 3.02Å; A552-Q556 WeakPolarHBondContact O-CG 3.41Å; A552-Q556 PolarHBondContact O-N 2.85Å
553	Q	80.6	Confident	71.6	Confident	118 Å²	118	108.5 Å²	108.5	55%	0.551	54%	0.537	S	S	*	.	H	α-helix	trans	-63.9	-42.6	173.9	-72.8	179.2	-6.7	0	0	112.1	N549 L550 Q555 Q556 Q557	N549-Q553 WeakPolarHBondContact O-CG 3.08Å; N549-Q553 PolarHBondContact O-N 3.17Å; L550-Q553 PolarHBondContact O-N 2.82Å; Q553-Q555 PolarHBondContact O-N 2.97Å; Q553-Q556 PolarHBondContact O-N 2.89Å; Q553-Q557 WeakPolarHBondContact O-CG 3.44Å; Q553-Q557 PolarHBondContact O-N 2.87Å
554	Q	77.9	Confident	69.5	Low	95 Å²	95	110 Å²	110	44%	0.444	55%	0.548	S	S	.	.	H	α-helix	trans	-63.9	-39.3	175.9	-71.4	176.9	10.1	0	0	112.5	L550 C551 Q557 Q558	L550-Q554 WeakPolarHBondContact O-CG 3.39Å; L550-Q554 PolarHBondContact O-N 3.34Å; C551-Q554 PolarHBondContact O-N 3.15Å; Q554-Q557 PolarHBondContact O-N 2.98Å; Q554-Q558 WeakPolarHBondContact O-CG 3.22Å; Q554-Q558 PolarHBondContact O-N 2.95Å
555	Q	75.6	Confident	67.5	Low	121 Å²	121	113.5 Å²	113.5	57%	0.565	57%	0.565	S	S	*	*	H	α-helix	trans	-65.9	-38.5	175.5	-73.6	178.6	2.8	0	0	112.4	C551 A552 Q553 Q558 Q559	C551-Q555 WeakPolarHBondContact O-CG 3.36Å; C551-Q555 PolarHBondContact O-N 3.22Å; A552-Q555 PolarHBondContact O-N 3.02Å; Q553-Q555 PolarHBondContact O-N 2.97Å; Q555-Q558 PolarHBondContact O-N 2.8Å; Q555-Q559 WeakPolarHBondContact O-CG 3.37Å; Q555-Q559 PolarHBondContact O-N 2.84Å
556	Q	73.6	Confident	65.3	Low	127 Å²	127	116.3 Å²	116.3	59%	0.593	58%	0.582	S	S	*	*	H	α-helix	trans	-65.8	-36.8	173.9	-74	-178.3	-5.9	0	0	112.3	A552 Q553 M560	A552-Q556 WeakPolarHBondContact O-CG 3.41Å; A552-Q556 PolarHBondContact O-N 2.85Å; Q553-Q556 PolarHBondContact O-N 2.89Å; Q556-M560 WeakPolarHBondContact O-CE 3.5Å; Q556-M560 PolarHBondContact O-N 3.22Å
557	Q	71.1	Confident	63.1	Low	119 Å²	119	117.9 Å²	117.9	56%	0.556	60%	0.596	S	S	*	*	H	α-helix	trans	-64.9	-47.7	173.6	-73.4	176.4	-16.7	0	0	111.7	Q553 Q554 Q559 M560 E561	Q553-Q557 WeakPolarHBondContact O-CG 3.44Å; Q553-Q557 PolarHBondContact O-N 2.87Å; Q554-Q557 PolarHBondContact O-N 2.98Å; Q557-Q559 VanDerWaalsContact C-N 3.28Å; Q557-Q559 PolarHBondContact O-N 2.97Å; Q557-M560 PolarHBondContact O-N 2.98Å; Q557-E561 PolarHBondContact O-N 3.3Å
558	Q	64	Low	60.9	Low	113 Å²	113	117 Å²	117	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-62.5	-31.9	177.8	-71.1	176	9	0	0	113.3	Q554 Q555 M560 E561 M562	Q554-Q558 WeakPolarHBondContact O-CG 3.22Å; Q554-Q558 PolarHBondContact O-N 2.95Å; Q555-Q558 PolarHBondContact O-N 2.8Å; Q558-M560 VanDerWaalsContact C-N 3.34Å; Q558-E561 PolarHBondContact O-N 3.19Å; Q558-M562 PolarHBondContact O-N 3.44Å
559	Q	60.2	Low	58.8	Low	142 Å²	142	122 Å²	122	66%	0.664	63%	0.626	S	S	*	*	H	α-helix	trans	-71.6	-25.3	173.5	-74.5	-176.3	5.8	0	0	113.5	Q555 Q557	Q555-Q559 WeakPolarHBondContact O-CG 3.37Å; Q555-Q559 PolarHBondContact O-N 2.84Å; Q557-Q559 VanDerWaalsContact C-N 3.28Å; Q557-Q559 PolarHBondContact O-N 2.97Å
560	M	55.5	Low	56.6	Low	135 Å²	135	125 Å²	125	67%	0.665	64%	0.642	S	S	*	*	H	α-helix	trans	-79.8	-34.5	171.4	-72.2	-174.5	-75.6	0	0	112.3	Q556 Q557 Q558	Q556-M560 WeakPolarHBondContact O-CE 3.5Å; Q556-M560 PolarHBondContact O-N 3.22Å; Q557-M560 PolarHBondContact O-N 2.98Å; Q558-M560 VanDerWaalsContact C-N 3.34Å
561	E	54.3	Low	54.4	Low	162 Å²	162	125.3 Å²	125.3	76%	0.757	66%	0.659	S	S	*	*	H	α-helix	trans	-72.6	-23.3	177.8	-69.3	-172.3	133.9	0	0	114	Q557 Q558 Q563	Q557-E561 PolarHBondContact O-N 3.3Å; Q558-E561 PolarHBondContact O-N 3.19Å; E561-Q563 VanDerWaalsContact C-N 3.34Å; E561-Q563 PolarHBondContact O-N 2.87Å
562	M	50.5	Low	52.1	Low	150 Å²	150	130.2 Å²	130.2	74%	0.739	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	4.7	178.5	-78.7	-160.9	-67.8	0	0	115.6	Q558 P564	Q558-M562 PolarHBondContact O-N 3.44Å; M562-P564 WeakPolarHBondContact O-CD 3.47Å
563	Q	38.9	Very low	49.8	Very low	154 Å²	154	133.6 Å²	133.6	72%	0.72	70%	0.699	S	S	*	*	S	Bend	trans	-79.5	119.8	168.4	-69.4	-164.9	4.7	0	0	110.6	E561 Q565	E561-Q563 VanDerWaalsContact C-N 3.34Å; E561-Q563 PolarHBondContact O-N 2.87Å; Q563-Q565 PolarHBondContact O-N 3.13Å; Q563-Q565 VanDerWaalsContact O-N 3.13Å
564	P	36.7	Very low	47.7	Very low	116 Å²	116	135.9 Å²	135.9	75%	0.753	71%	0.713	S	S	*	*			trans	-64.8	117.3	177.6	-19.2	32.4	0	0	0	110.3	M562 T566	M562-P564 WeakPolarHBondContact O-CD 3.47Å; P564-T566 VanDerWaalsContact C-N 3.35Å; P564-T566 PolarHBondContact O-N 3.21Å
565	Q	36.2	Very low	45.6	Very low	179 Å²	179	136.2 Å²	136.2	84%	0.836	73%	0.726	S	S	*	*			trans	-68.4	91.4	174.6	-69.4	-173.4	-0.6	0	0	110.2	Q563 M567	Q563-Q565 PolarHBondContact O-N 3.13Å; Q563-Q565 VanDerWaalsContact O-N 3.13Å; Q565-M567 VanDerWaalsContact C-N 3.3Å; Q565-M567 PolarHBondContact O-N 3.28Å
566	T	31.1	Very low	43.5	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	74%	0.739	S	S	*	*			trans	-68.9	89	170.1	48.7	0	0	0	0	109.7	P564 V568	P564-T566 VanDerWaalsContact C-N 3.35Å; P564-T566 PolarHBondContact O-N 3.21Å; T566-V568 VanDerWaalsContact C-N 3.25Å; T566-V568 PolarHBondContact O-N 2.95Å
567	M	33.4	Very low	41.5	Very low	174 Å²	174	136.2 Å²	136.2	86%	0.857	75%	0.746	S	S	*	*			trans	-64	80.8	171	-78.8	-96.8	-78	0	0	110.6	Q565 N569	Q565-M567 VanDerWaalsContact C-N 3.3Å; Q565-M567 PolarHBondContact O-N 3.28Å; M567-N569 PolarHBondContact O-N 3.09Å
568	V	34.7	Very low	39.6	Very low	121 Å²	121	135.5 Å²	135.5	73%	0.733	76%	0.76	S	S	*	*			trans	-75.8	89.4	174.2	-175.8	0	0	0	0	109.1	T566	T566-V568 VanDerWaalsContact C-N 3.25Å; T566-V568 PolarHBondContact O-N 2.95Å
569	N	36.4	Very low	38.2	Very low	150 Å²	150	134.3 Å²	134.3	80%	0.802	77%	0.77	S	S	*	*			trans	-75.8	135.8	167.5	-162.2	4.6	0	0	0	109.4	M567 G571	M567-N569 PolarHBondContact O-N 3.09Å; N569-G571 PolarHBondContact O-N 3.41Å
570	N	36	Very low	36.9	Very low	161 Å²	161	132.3 Å²	132.3	86%	0.861	78%	0.777	S	S	*	*	S	Bend	trans	-69.5	101.8	-172.2	-78.7	-37.7	0	0	0	111.5
571	G	33.9	Very low	35.8	Very low	65 Å²	65	130.6 Å²	130.6	67%	0.67	78%	0.784	S	S	*	*	S	Bend	trans	-164.5	31.8	-169	0	0	0	0	0	118.4	N569	N569-G571 PolarHBondContact O-N 3.41Å
572	N	33.5	Very low	34.9	Very low	167 Å²	167	127.4 Å²	127.4	89%	0.893	79%	0.786	S	S	*	*			trans	67.3	155.1	178.1	-67.2	-26.7	0	0	0	117.4
573	P	32.6	Very low	34	Very low	116 Å²	116	126.4 Å²	126.4	75%	0.753	79%	0.788	S	S	*	*			trans	-110.6	139.1	-168	38.3	-28.9	0	0	0	115
574	I	35.8	Very low	33.9	Very low	167 Å²	167	125.5 Å²	125.5	86%	0.856	79%	0.792	S	S	*	*			trans	-141	119.7	170.8	-64.6	-175.8	0	0	0	112.6
575	S	33.7	Very low	33.7	Very low	101 Å²	101	123.6 Å²	123.6	71%	0.706	79%	0.794	S	S	*	*			trans	41.9	102.5	143.8	-167.6	0	0	0	0	123.2
576	L	32.4	Very low	33.6	Very low	161 Å²	161	118.5 Å²	118.5	84%	0.843	79%	0.79	S	S	*	*				64	131.4	110.9	-135.6	87.8	0	0	0	123.6
577	A	31.1	Very low	33.6	Very low	88 Å²	88	119.9 Å²	119.9	73%	0.727	80%	0.798	S	S	*	*			trans	88.2	153.6	136	0	0	0	0	0	123.8
578	A	31.8	Very low	33.5	Very low	103 Å²	103	113 Å²	113	85%	0.851	77%	0.771	S	S	*	*			trans	69.6	145.5	170.5	0	0	0	0	0	117
579	A	33	Very low	33.4	Very low	89 Å²	89	109.6 Å²	109.6	74%	0.736	75%	0.748	S	S	*	*			cis	-143.2	144.2	-0.7	0	0	0	0	0	108.3
580	A	33.9	Very low	33.3	Very low	99 Å²	99	106.7 Å²	106.7	82%	0.818	74%	0.737	S	S	*	*				59.4	135.4	72.9	0	0	0	0	0	114.2
581	A	32.6	Very low	33.2	Very low	99 Å²	99	103.8 Å²	103.8	82%	0.818	72%	0.722	S	S	*	*			cis	-169.3	-175.4	-7.1	0	0	0	0	0	111.3
582	A	34.1	Very low	33.1	Very low	96 Å²	96	106.9 Å²	106.9	79%	0.793	72%	0.723	S	S	*	*			trans	112.7	139.8	157.2	0	0	0	0	0	117.2
583	V	33.4	Very low	32.9	Very low	129 Å²	129	105.6 Å²	105.6	78%	0.782	72%	0.716	S	S	*	*			cis	-160.2	140.8	-10	122.2	0	0	0	0	110.8
584	V	34.9	Very low	32.7	Very low	134 Å²	134	106.1 Å²	106.1	81%	0.812	72%	0.722	S	S	*	*			trans	26.8	136.5	150.9	-171	0	0	0	0	120.9
585	G	33.4	Very low	32.4	Very low	77 Å²	77	101.7 Å²	101.7	79%	0.794	72%	0.718	S	S	*	*			cis	115.8	138	3.8	0	0	0	0	0	114.1
586	G	33.4	Very low	32	Very low	72 Å²	72	105.9 Å²	105.9	74%	0.742	73%	0.726	S	S	*	*			cis	171.6	-167.7	-3.9	0	0	0	0	0	112.8
587	V	31.8	Very low	31.9	Very low	149 Å²	149	104.4 Å²	104.4	90%	0.903	72%	0.718	S	S	*	*			trans	93	130.5	160.5	-167.6	0	0	0	0	122.4
588	G	31.2	Very low	31.7	Very low	29 Å²	29	107.3 Å²	107.3	30%	0.299	72%	0.721	S	S	.	*			trans	104.6	141.4	161.5	0	0	0	0	0	117.7	S702 Y704	G588-S702 PolarHBondContact N-OG 3.22Å; G588-S702 VanDerWaalsContact O-CB 3.3Å; G588-S702 WeakPolarHBondContact O-CB 3.45Å; G588-Y704 WeakPolarHBondContact O-CD2 3.13Å
589	M	32.7	Very low	31.5	Very low	50 Å²	50	112 Å²	112	25%	0.246	72%	0.718	C	S	.	*			cis	68.1	149.4	-5.6	-87.6	-112.7	-163.2	0	0	121.2	N591 E701 V703 Y704	M589-N591 HydrophobicContact SD-CB 4.08Å; M589-N591 PolarHBondContact SD-N 3.05Å; M589-N591 VanDerWaalsContact SD-N 3.43Å; M589-E701 HydrophobicContact CB-CB 4.06Å; M589-E701 HydrophobicContact CE-CB 4.13Å; M589-E701 HydrophobicContact CG-CB 3.86Å; M589-E701 HydrophobicContact SD-CB 3.71Å; M589-E701 HydrophobicContact SD-CG 4.36Å; M589-V703 VanDerWaalsContact CA-O 3.23Å; M589-V703 WeakPolarHBondContact CA-O 3.16Å; M589-V703 HydrophobicContact CE-CB 4.13Å; M589-V703 HydrophobicContact CE-CG1 3.86Å; M589-V703 HydrophobicContact CG-CB 4.18Å; M589-V703 HydrophobicContact CG-CG1 4.25Å; M589-V703 PolarHBondContact N-O 2.84Å; M589-Y704 VanDerWaalsContact N-CD2 3.32Å; M589-Y704 VanDerWaalsContact N-CE2 3.26Å; M589-Y704 WeakPolarHBondContact O-CE2 3.24Å; M589-Y704 PolarHBondContact O-OH 2.93Å
590	P	34.5	Very low	31.3	Very low	88 Å²	88	118.4 Å²	118.4	57%	0.571	72%	0.724	S	S	*	*			cis	-124	147.7	22.4	22	2.2	0	0	0	122.4	Y704	P590-Y704 VanDerWaalsContact CD-OH 3.31Å; P590-Y704 WeakPolarHBondContact CD-OH 3.48Å
591	N	33.3	Very low	31.1	Very low	101 Å²	101	121 Å²	121	54%	0.54	72%	0.724	S	S	.	*			trans	31	117.3	134.4	-166	13.4	0	0	0	124.4	M589	M589-N591 HydrophobicContact SD-CB 4.08Å; M589-N591 PolarHBondContact SD-N 3.05Å; M589-N591 VanDerWaalsContact SD-N 3.43Å
592	N	31.5	Very low	30.8	Very low	130 Å²	130	121.3 Å²	121.3	70%	0.695	72%	0.72	S	S	*	*				178.5	137.4	121.5	-108.5	-54.8	0	0	0	117.4
593	N	29.8	Very low	30.6	Very low	140 Å²	140	122.2 Å²	122.2	75%	0.749	72%	0.718	S	S	*	*			trans	47.9	142.2	148.7	-77.2	-24.4	0	0	0	125.9
594	S	29.6	Very low	30.3	Very low	127 Å²	127	122.3 Å²	122.3	89%	0.888	72%	0.718	S	S	*	*			trans	73.2	131.7	164	73.9	0	0	0	0	118.5
595	G	27.8	Very low	29.9	Very low	74 Å²	74	126.7 Å²	126.7	76%	0.763	72%	0.721	S	S	*	*			trans	142.6	137.7	177.5	0	0	0	0	0	113.7
596	Q	26.5	Very low	29.6	Very low	188 Å²	188	128.5 Å²	128.5	88%	0.879	72%	0.717	S	S	*	*			trans	-66.9	136.8	-176.7	-64.1	147.1	-43.6	0	0	112.7
597	I	30	Very low	29.3	Very low	131 Å²	131	133.7 Å²	133.7	67%	0.672	73%	0.725	S	S	*	*			trans	-95.2	107.1	168.4	-60.8	179.3	0	0	0	109.3	Y599	I597-Y599 HydrophobicContact CB-CE2 4.32Å; I597-Y599 HydrophobicContact CG2-CD2 3.93Å; I597-Y599 HydrophobicContact CG2-CE2 3.66Å; I597-Y599 PolarHBondContact O-N 3.44Å
598	N	27.4	Very low	29.1	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	72%	0.719	S	S	*	*			trans	-74.6	106.6	168.5	-82.3	-54.3	0	0	0	110.2	R600	N598-R600 VanDerWaalsContact C-N 3.34Å; N598-R600 PolarHBondContact O-N 2.8Å
599	Y	27	Very low	28.9	Very low	201 Å²	201	140.9 Å²	140.9	79%	0.788	75%	0.745	S	S	*	*			trans	-78.9	80.7	169.6	-79.3	-83.2	0	0	0	111	I597	I597-Y599 HydrophobicContact CB-CE2 4.32Å; I597-Y599 HydrophobicContact CG2-CD2 3.93Å; I597-Y599 HydrophobicContact CG2-CE2 3.66Å; I597-Y599 PolarHBondContact O-N 3.44Å
600	R	29.4	Very low	28.6	Very low	225 Å²	225	143.4 Å²	143.4	85%	0.849	77%	0.774	S	S	*	*			trans	-101.3	130.2	161.7	-97.7	-175.4	170.8	178.6	-2.1	110.1	N598	N598-R600 VanDerWaalsContact C-N 3.34Å; N598-R600 PolarHBondContact O-N 2.8Å
601	N	29.7	Very low	28.3	Very low	154 Å²	154	145.8 Å²	145.8	82%	0.824	79%	0.787	S	S	*	*			trans	59.1	73	164.3	-58.4	2.9	0	0	0	117
602	S	25.4	Very low	27.9	Very low	105 Å²	105	144.5 Å²	144.5	73%	0.734	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-100	127.5	144.9	-70.6	0	0	0	0	108.6	V604	S602-V604 PolarHBondContact O-N 3.41Å
603	P	30.2	Very low	27.6	Very low	115 Å²	115	148.4 Å²	148.4	75%	0.747	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69	132.8	176.4	28.6	-33.5	0	0	0	110.5	Y605	P603-Y605 PolarHBondContact O-N 3.32Å
604	V	27.2	Very low	27.5	Very low	131 Å²	131	150.4 Å²	150.4	79%	0.794	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-68.6	125.8	172.7	176.9	0	0	0	0	108.8	S602 T606	S602-V604 PolarHBondContact O-N 3.41Å; V604-T606 PolarHBondContact O-N 2.91Å
605	Y	25	Very low	27.3	Very low	225 Å²	225	149.2 Å²	149.2	88%	0.882	82%	0.817	S	S	*	*			trans	-71.3	90	172.4	-95.2	-95.9	0	0	0	110.3	P603 M607	P603-Y605 PolarHBondContact O-N 3.32Å; Y605-M607 PolarHBondContact O-N 3.46Å
606	T	28.1	Very low	27.2	Very low	115 Å²	115	150.3 Å²	150.3	71%	0.706	82%	0.819	S	S	*	*			trans	-66.6	113.8	167.6	-52.5	0	0	0	0	109.2	V604 N608	V604-T606 PolarHBondContact O-N 2.91Å; T606-N608 VanDerWaalsContact C-N 3.35Å; T606-N608 PolarHBondContact O-N 2.88Å
607	M	27	Very low	27.4	Very low	182 Å²	182	147.6 Å²	147.6	90%	0.897	82%	0.815	S	S	*	*			trans	-78.1	80.7	-176.9	-166.6	178.3	-164.9	0	0	111.1	Y605 Q609	Y605-M607 PolarHBondContact O-N 3.46Å; M607-Q609 PolarHBondContact O-N 3.11Å; M607-Q609 VanDerWaalsContact O-N 3.09Å
608	N	27.5	Very low	27.2	Very low	146 Å²	146	145 Å²	145	78%	0.781	82%	0.821	S	S	*	*			trans	-59.1	111.8	173.6	-85.8	-7	0	0	0	110.8	T606	T606-N608 VanDerWaalsContact C-N 3.35Å; T606-N608 PolarHBondContact O-N 2.88Å
609	Q	28.3	Very low	27.4	Very low	183 Å²	183	143.4 Å²	143.4	86%	0.855	82%	0.821	S	S	*	*			trans	-72.1	126.9	159.5	-68.6	-167.6	34.3	0	0	108.7	M607 T611	M607-Q609 PolarHBondContact O-N 3.11Å; M607-Q609 VanDerWaalsContact O-N 3.09Å; Q609-T611 PolarHBondContact O-N 2.74Å
610	A	25	Very low	27.6	Very low	103 Å²	103	140.9 Å²	140.9	85%	0.851	82%	0.82	S	S	*	*			trans	-83.1	101.1	-173.9	0	0	0	0	0	112.1
611	T	28.7	Very low	27.8	Very low	137 Å²	137	135.8 Å²	135.8	84%	0.84	82%	0.816	S	S	*	*			trans	-121.9	106	158.3	44.4	0	0	0	0	108.7	Q609	Q609-T611 PolarHBondContact O-N 2.74Å
612	G	24.2	Very low	27.8	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	81%	0.814	S	S	*	*			trans	-81.3	128	-170.4	0	0	0	0	0	113.7
613	F	26.3	Very low	28	Very low	212 Å²	212	137.6 Å²	137.6	93%	0.93	82%	0.816	S	S	*	*			trans	-135.9	145.5	157.6	-100	-88.4	0	0	0	109.6
614	L	28	Very low	27.9	Very low	181 Å²	181	138.4 Å²	138.4	95%	0.948	82%	0.818	S	S	*	*			trans	-87.3	160.1	-175.7	-79.6	162.8	0	0	0	112.5
615	A	24.8	Very low	27.9	Very low	103 Å²	103	140 Å²	140	85%	0.851	82%	0.817	S	S	*	*			trans	-99.5	147.6	-158	0	0	0	0	0	116.3
616	A	26.4	Very low	27.9	Very low	97 Å²	97	134.8 Å²	134.8	80%	0.802	81%	0.809	S	S	*	*			trans	177.5	141.8	152.5	0	0	0	0	0	106.7
617	T	30.3	Very low	28.1	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	81%	0.811	S	S	*	*			cis	-129	175.1	-3.3	53.5	0	0	0	0	107.7
618	G	25.8	Very low	28.1	Very low	77 Å²	77	133.7 Å²	133.7	79%	0.794	81%	0.807	S	S	*	*			cis	103.1	61.6	20.3	0	0	0	0	0	111.6
619	S	31	Very low	28.3	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	81%	0.813	S	S	*	*			trans	-131.3	134.3	-177.7	-63.3	0	0	0	0	111.8
620	I	31.3	Very low	28.4	Very low	148 Å²	148	130.3 Å²	130.3	76%	0.759	81%	0.807	S	S	*	*			trans	-100.2	138.4	-179.7	-60.9	169.3	0	0	0	108.9	N622	I620-N622 PolarHBondContact O-N 3.17Å
621	P	33.9	Very low	28.6	Very low	119 Å²	119	132.4 Å²	132.4	77%	0.773	81%	0.808	S	S	*	*			trans	-72	115.3	171.4	29.4	-33	0	0	0	110.3	I623	P621-I623 PolarHBondContact O-N 3.3Å
622	N	29.7	Very low	28.7	Very low	145 Å²	145	129.4 Å²	129.4	78%	0.775	80%	0.798	S	S	*	*			trans	-71.6	113.9	176.7	-87.1	-18.6	0	0	0	111.2	I620 V624	I620-N622 PolarHBondContact O-N 3.17Å; N622-V624 HydrophobicContact CB-CG2 4.3Å
623	I	29.2	Very low	29	Very low	152 Å²	152	133 Å²	133	78%	0.779	80%	0.799	S	S	*	*			trans	-74.8	120.1	158	-63.1	171.8	0	0	0	107.2	P621	P621-I623 PolarHBondContact O-N 3.3Å
624	V	28.9	Very low	29	Very low	131 Å²	131	130.2 Å²	130.2	79%	0.794	79%	0.794	S	S	*	*			trans	-126	94.9	169.2	-176.5	0	0	0	0	108.8	N622	N622-V624 HydrophobicContact CB-CG2 4.3Å
625	Q	26.7	Very low	29.1	Very low	165 Å²	165	128.6 Å²	128.6	77%	0.771	79%	0.786	S	S	*	*			trans	-101.3	130.4	160.5	-94.7	-173.8	-32.7	0	0	109.3
626	T	25.5	Very low	29.4	Very low	115 Å²	115	130.2 Å²	130.2	71%	0.706	78%	0.78	S	S	*	*			trans	50.6	115.3	150.9	60.8	0	0	0	0	119.2
627	I	30.9	Very low	29.6	Very low	148 Å²	148	133.2 Å²	133.2	76%	0.759	78%	0.781	S	S	*	*				-177.8	133.8	102.8	-88.6	152.7	0	0	0	108.1
628	P	28.1	Very low	29.4	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	78%	0.78	S	S	*	*			trans	-83.6	134.9	175.8	33	-32.8	0	0	0	111.9
629	L	32.1	Very low	29.5	Very low	171 Å²	171	137.3 Å²	137.3	90%	0.895	78%	0.775	S	S	*	*			trans	-140	151.6	162.9	-95.2	167	0	0	0	108.1
630	A	29.6	Very low	29.5	Very low	88 Å²	88	139.6 Å²	139.6	73%	0.727	77%	0.773	S	S	*	*			trans	-139.9	164.2	-162.5	0	0	0	0	0	113.9
631	V	29.3	Very low	29.1	Very low	146 Å²	146	137.5 Å²	137.5	89%	0.885	77%	0.772	S	S	*	*			trans	80	146.9	162.1	-178.5	0	0	0	0	117.9
632	A	29.9	Very low	28.9	Very low	75 Å²	75	140.5 Å²	140.5	62%	0.62	78%	0.775	S	S	*	*			trans	87.6	96	163.3	0	0	0	0	0	121.1
633	N	30.7	Very low	28.8	Very low	151 Å²	151	138.3 Å²	138.3	81%	0.807	77%	0.771	S	S	*	*				77.2	92.4	124.9	-58.5	-5.1	0	0	0	120.8
634	D	27.1	Very low	28.6	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	78%	0.782	S	S	*	*				17.4	123.2	125.5	-68.6	-38.2	0	0	0	119.1
635	N	30.3	Very low	28.5	Very low	147 Å²	147	143 Å²	143	79%	0.786	78%	0.784	S	S	*	*			trans	-162.5	147.9	133	-112.5	-70.5	0	0	0	113.2
636	L	29.8	Very low	28.4	Very low	137 Å²	137	143.7 Å²	143.7	72%	0.717	79%	0.792	S	S	*	*			trans	50.4	99.3	146.3	-76	160.1	0	0	0	119.6
637	L	31.2	Very low	28.4	Very low	160 Å²	160	143.5 Å²	143.5	84%	0.838	80%	0.795	S	S	*	*				172.8	154.2	88.8	-96.8	155.7	0	0	0	114.6
638	Q	25.6	Very low	28.2	Very low	164 Å²	164	142.4 Å²	142.4	77%	0.766	80%	0.797	S	S	*	*			trans	-94	143.7	169.8	-61.1	165	-36.6	0	0	110.2
639	N	29.6	Very low	28.1	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	80%	0.796	S	S	*	*				-178.9	130.4	118.1	-97.5	-46.3	0	0	0	115.6
640	Q	29.5	Very low	27.9	Very low	161 Å²	161	141.3 Å²	141.3	75%	0.752	79%	0.786	S	S	*	*			trans	49.8	90.9	134.7	-62.4	176.2	50.7	0	0	120.2
641	S	23.9	Very low	27.6	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	78%	0.784	S	S	*	*			trans	-0.1	131	130.9	56.6	0	0	0	0	119.6
642	H	29	Very low	27.6	Very low	182 Å²	182	142.6 Å²	142.6	84%	0.843	78%	0.779	S	S	*	*			trans	-153	140.9	137.1	-100.7	-68.8	0	0	0	112.2
643	S	27	Very low	27.4	Very low	99 Å²	99	146.6 Å²	146.6	69%	0.692	79%	0.785	S	S	*	*			trans	37.5	97.4	160.3	56.7	0	0	0	0	119.5
644	M	25.8	Very low	27.2	Very low	203 Å²	203	143 Å²	143	100%	1	77%	0.772	S	S	*	*			trans	-75.7	119.1	145.3	-79.4	-170.3	-76	0	0	108.7
645	Q	26.7	Very low	27.3	Very low	178 Å²	178	139 Å²	139	83%	0.832	76%	0.756	S	S	*	*			trans	-114.7	142.8	175.2	-162	168.1	6.1	0	0	109.6
646	L	24.8	Very low	27.3	Very low	180 Å²	180	138.2 Å²	138.2	94%	0.942	75%	0.751	S	S	*	*			trans	-61.4	137.7	-171	-67.4	154.3	0	0	0	112.3
647	S	25	Very low	27.3	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	76%	0.755	S	S	*	*			trans	-126.1	148.9	162.9	52.7	0	0	0	0	109.9
648	P	26.7	Very low	27.2	Very low	125 Å²	125	136.7 Å²	136.7	81%	0.812	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-94.9	131.2	-160.4	0.3	20.6	0	0	0	112.6
649	Q	26.4	Very low	27.3	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-68.8	133.1	161.6	-83.7	-75	-19.4	0	0	109.9	V651	Q649-V651 PolarHBondContact O-N 3.14Å
650	P	27.5	Very low	27.1	Very low	104 Å²	104	134.7 Å²	134.7	68%	0.675	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-70.3	123.2	175.3	28.6	-33.3	0	0	0	110.7	N652	P650-N652 PolarHBondContact O-N 2.62Å
651	V	24.8	Very low	27	Very low	112 Å²	112	136.7 Å²	136.7	68%	0.679	73%	0.732	S	S	*	*			trans	-78.7	85.7	-178	-178.3	0	0	0	0	110.4	Q649 Q653	Q649-V651 PolarHBondContact O-N 3.14Å; V651-Q653 HydrophobicContact CG1-CB 4.36Å; V651-Q653 HydrophobicContact CG1-CG 3.87Å; V651-Q653 PolarHBondContact O-N 3.17Å
652	N	28.7	Very low	27.1	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	74%	0.739	S	S	*	*			trans	-76.5	102.4	163.7	-93.5	-10.7	0	0	0	109.2	P650 S654	P650-N652 PolarHBondContact O-N 2.62Å; N652-S654 VanDerWaalsContact C-N 3.32Å; N652-S654 PolarHBondContact O-N 2.67Å
653	Q	25.3	Very low	27.1	Very low	159 Å²	159	136.8 Å²	136.8	74%	0.743	73%	0.733	S	S	*	*			trans	-86.7	63.8	-169.2	-123.7	171.9	26.6	0	0	113.4	V651	V651-Q653 HydrophobicContact CG1-CB 4.36Å; V651-Q653 HydrophobicContact CG1-CG 3.87Å; V651-Q653 PolarHBondContact O-N 3.17Å
654	S	27.2	Very low	27.2	Very low	76 Å²	76	136.5 Å²	136.5	53%	0.531	73%	0.731	S	S	.	*	S	Bend	trans	-142.3	137.1	164.6	51.5	0	0	0	0	109.9	N652	N652-S654 VanDerWaalsContact C-N 3.32Å; N652-S654 PolarHBondContact O-N 2.67Å
655	S	29.6	Very low	27.2	Very low	69 Å²	69	133.5 Å²	133.5	48%	0.483	72%	0.719	S	S	.	*	S	Bend	trans	63.7	58.3	-179.6	-53.6	0	0	0	0	116.9	E657	S655-E657 PolarHBondContact O-N 3.27Å
656	L	29.6	Very low	27.3	Very low	130 Å²	130	132.8 Å²	132.8	68%	0.681	72%	0.721	S	S	*	*			trans	-80.3	111.2	170.1	-94	166	0	0	0	113.1
657	E	28.8	Very low	27.3	Very low	171 Å²	171	128.9 Å²	128.9	80%	0.799	71%	0.709	S	S	*	*			trans	38.4	80.5	147.7	-59.8	-171.5	145.1	0	0	119.3	S655 G659	S655-E657 PolarHBondContact O-N 3.27Å; E657-G659 PolarHBondContact O-N 3.47Å
658	F	30.1	Very low	27.3	Very low	94 Å²	94	132.1 Å²	132.1	41%	0.412	71%	0.712	S	S	.	*	S	Bend	trans	-77.9	85.8	148.4	-97	-93.7	0	0	0	108.9	Q128 N521	Q128-F658 HydrophobicContact CG-CZ 4.3Å; Q128-F658 VanDerWaalsContact NE2-CE1 3.29Å; N521-F658 PolarHBondContact OD1-O 3.38Å
659	G	27	Very low	27.4	Very low	48 Å²	48	134 Å²	134	50%	0.495	71%	0.714	S	S	.	*			trans	-172.9	8.7	-172.2	0	0	0	0	0	122	E657	E657-G659 PolarHBondContact O-N 3.47Å
660	R	26.8	Very low	27.3	Very low	203 Å²	203	130.1 Å²	130.1	77%	0.766	71%	0.71	S	S	*	*			trans	-172.9	117.7	165.6	-99.1	133.5	-163.4	-144.8	3.5	112.6
661	F	27	Very low	27.2	Very low	204 Å²	204	131.1 Å²	131.1	90%	0.895	72%	0.72	S	S	*	*			trans	-174	100	138.9	-104	-64.8	0	0	0	109.9
662	I	25.3	Very low	27.2	Very low	170 Å²	170	131.1 Å²	131.1	87%	0.872	73%	0.725	S	S	*	*			trans	-124.6	98.6	172.1	-59.5	176.6	0	0	0	108.3
663	T	30	Very low	27.1	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.724	73%	0.73	S	S	*	*			trans	-162.3	109.8	157.7	30.3	0	0	0	0	112.1
664	S	27.7	Very low	27.1	Very low	93 Å²	93	133.5 Å²	133.5	65%	0.65	74%	0.738	S	S	*	*			trans	33.1	129	141.8	62.5	0	0	0	0	122.8
665	N	26.8	Very low	27.1	Very low	141 Å²	141	141 Å²	141	75%	0.754	76%	0.755	S	S	*	*			trans	52.6	110.2	134.1	-51.9	-11.7	0	0	0	117.9
666	N	28.9	Very low	27	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	77%	0.766	S	S	*	*				-168.9	172.2	71.7	-100.4	-44.1	0	0	0	113.3
667	S	24.5	Very low	27	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	77%	0.772	S	S	*	*			trans	-103.7	165.5	174.6	68.2	0	0	0	0	113
668	Q	24.8	Very low	26.9	Very low	179 Å²	179	142.2 Å²	142.2	84%	0.836	78%	0.775	S	S	*	*			trans	82.3	164	174.9	-48.1	-173.2	14.5	0	0	116.9
669	I	29	Very low	26.9	Very low	165 Å²	165	145.1 Å²	145.1	85%	0.846	79%	0.793	S	S	*	*			trans	66.5	87.7	-169.4	-46	175.1	0	0	0	111.9
670	A	24.7	Very low	27	Very low	89 Å²	89	148.8 Å²	148.8	74%	0.736	81%	0.808	S	S	*	*			cis	78.4	111.6	46.4	0	0	0	0	0	115.2
671	S	23.8	Very low	26.9	Very low	125 Å²	125	144.7 Å²	144.7	87%	0.874	81%	0.811	S	S	*	*			trans	23.9	105	157	-57.1	0	0	0	0	120.7
672	S	25.7	Very low	27	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	81%	0.808	S	S	*	*			trans	-166.7	176.1	131.5	57.5	0	0	0	0	112.1
673	M	27	Very low	26.9	Very low	182 Å²	182	137.9 Å²	137.9	90%	0.897	80%	0.804	S	S	*	*			trans	70.6	63.2	169.1	-51.8	-154.8	-173.3	0	0	118.9
674	L	24.6	Very low	27	Very low	176 Å²	176	138.2 Å²	138.2	92%	0.921	81%	0.808	S	S	*	*			trans	-101.8	110.2	142.7	-88.7	170.2	0	0	0	109.3
675	R	27.7	Very low	27.1	Very low	233 Å²	233	140.6 Å²	140.6	88%	0.879	82%	0.818	S	S	*	*			trans	-147	109.4	164.8	-82.3	-157.3	176.5	-154.7	-0.5	113.1
676	S	26.7	Very low	27	Very low	102 Å²	102	141 Å²	141	71%	0.713	82%	0.819	S	S	*	*			trans	46.6	108.5	140.2	60.4	0	0	0	0	120.2
677	V	29.8	Very low	26.9	Very low	136 Å²	136	141.9 Å²	141.9	82%	0.824	82%	0.818	S	S	*	*			trans	-126.2	129.6	140.2	178.9	0	0	0	0	107.3
678	N	27	Very low	27	Very low	158 Å²	158	142.4 Å²	142.4	85%	0.845	82%	0.819	S	S	*	*			trans	-95.8	142.5	174.9	-78.9	-21.2	0	0	0	110.2
679	I	30.5	Very low	27.3	Very low	154 Å²	154	142.1 Å²	142.1	79%	0.79	82%	0.822	S	S	*	*			trans	-133	135.5	160.2	-59.3	-178.1	0	0	0	107.6
680	P	28.9	Very low	27.2	Very low	126 Å²	126	140 Å²	140	82%	0.818	82%	0.818	S	S	*	*			trans	-79.8	158.4	-171.6	-12.4	29.9	0	0	0	114.2
681	S	25.1	Very low	27.5	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	82%	0.823	S	S	*	*			trans	-82.6	144.7	172.4	56.2	0	0	0	0	112.9
682	A	29	Very low	27.8	Very low	101 Å²	101	143 Å²	143	84%	0.835	82%	0.815	S	S	*	*			trans	-133	129	164.7	0	0	0	0	0	110.1
683	T	23.5	Very low	27.9	Very low	130 Å²	130	143.5 Å²	143.5	80%	0.798	82%	0.819	S	S	*	*			trans	-126.6	129.3	179.9	15.6	0	0	0	0	110.4
684	P	31.2	Very low	28	Very low	125 Å²	125	138.8 Å²	138.8	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.4	160.9	160.4	-11.4	29.3	0	0	0	111.5
685	V	29.2	Very low	28.2	Very low	142 Å²	142	136.6 Å²	136.6	86%	0.861	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-100.5	157.3	-174.3	175.5	0	0	0	0	111.6
686	I	24.9	Very low	28.4	Very low	151 Å²	151	129.1 Å²	129.1	77%	0.774	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.9	133.4	178.4	-58.6	166.5	0	0	0	110.5
687	E	26.6	Very low	28.4	Very low	179 Å²	179	132 Å²	132	84%	0.836	82%	0.818	S	S	*	*			trans	-133.9	130.9	153.8	-75.7	-161.8	153.2	0	0	110.7
688	P	28	Very low	28.6	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	82%	0.816	S	S	*	*			trans	-112.3	127.6	167.8	34.9	-22.8	0	0	0	111.4
689	L	30.9	Very low	28.8	Very low	172 Å²	172	129.8 Å²	129.8	90%	0.901	81%	0.812	S	S	*	*			trans	-114.9	126.8	168.9	-79.1	172	0	0	0	111
690	T	27	Very low	28.8	Very low	122 Å²	122	130.3 Å²	130.3	75%	0.748	82%	0.816	S	S	*	*			trans	-115.1	127.7	177.3	48.1	0	0	0	0	110.3
691	N	30.5	Very low	28.8	Very low	160 Å²	160	129.9 Å²	129.9	86%	0.856	80%	0.804	S	S	*	*			trans	165.6	155.5	156.4	-89.1	-23	0	0	0	110.6
692	V	29.5	Very low	29	Very low	115 Å²	115	127.7 Å²	127.7	70%	0.697	79%	0.788	S	S	*	*			cis	-165.2	138	-36.1	112.6	0	0	0	0	108.3
693	S	28.1	Very low	29	Very low	122 Å²	122	127.3 Å²	127.3	85%	0.853	78%	0.775	S	S	*	*			trans	58.7	145.2	166.9	69.7	0	0	0	0	120.4
694	G	30.2	Very low	29.2	Very low	83 Å²	83	128.4 Å²	128.4	86%	0.856	77%	0.766	S	S	*	*			trans	164.7	84.9	173	0	0	0	0	0	114.6
695	S	28.9	Very low	29.1	Very low	130 Å²	130	132.5 Å²	132.5	91%	0.909	77%	0.767	S	S	*	*			trans	-67.8	144	-175.8	51.6	0	0	0	0	116.1
696	G	30.2	Very low	28.8	Very low	76 Å²	76	131.5 Å²	131.5	78%	0.784	76%	0.757	S	S	*	*			trans	173.5	113.4	162.5	0	0	0	0	0	116
697	I	28.3	Very low	29	Very low	164 Å²	164	129.9 Å²	129.9	84%	0.841	76%	0.756	S	S	*	*			trans	-142.2	132.4	176.3	-67.2	176.5	0	0	0	104.8
698	P	34.3	Very low	29	Very low	123 Å²	123	127.5 Å²	127.5	80%	0.799	75%	0.753	S	S	*	*				-153.3	-177	75.3	42.1	-20.4	0	0	0	118.5
699	T	29.8	Very low	29	Very low	123 Å²	123	129.9 Å²	129.9	76%	0.755	76%	0.758	S	S	*	*			trans	-87.4	166.1	-178.2	49.3	0	0	0	0	114.8
700	N	31.1	Very low	28.7	Very low	165 Å²	165	126.9 Å²	126.9	88%	0.882	75%	0.752	S	S	*	*			trans	-157.4	154.9	140.4	-112.4	-15	0	0	0	112.1
701	E	29.2	Very low	28.9	Very low	118 Å²	118	125.5 Å²	125.5	55%	0.551	75%	0.747	S	S	*	*			trans	-87	171.3	-175.2	-59.1	176.5	129.7	0	0	112.9	M589	M589-E701 HydrophobicContact CB-CB 4.06Å; M589-E701 HydrophobicContact CE-CB 4.13Å; M589-E701 HydrophobicContact CG-CB 3.86Å; M589-E701 HydrophobicContact SD-CB 3.71Å; M589-E701 HydrophobicContact SD-CG 4.36Å
702	S	29.4	Very low	28.7	Very low	70 Å²	70	125.7 Å²	125.7	49%	0.49	75%	0.748	S	S	.	*			trans	-174.6	83.2	-163.8	76.4	0	0	0	0	115.2	G588	G588-S702 PolarHBondContact N-OG 3.22Å; G588-S702 VanDerWaalsContact O-CB 3.3Å; G588-S702 WeakPolarHBondContact O-CB 3.45Å
703	V	27.6	Very low	28.8	Very low	93 Å²	93	129.5 Å²	129.5	56%	0.564	76%	0.756	S	S	*	*			trans	-168.6	152.2	173.7	111.3	0	0	0	0	114.7	M589	M589-V703 VanDerWaalsContact CA-O 3.23Å; M589-V703 WeakPolarHBondContact CA-O 3.16Å; M589-V703 HydrophobicContact CE-CB 4.13Å; M589-V703 HydrophobicContact CE-CG1 3.86Å; M589-V703 HydrophobicContact CG-CB 4.18Å; M589-V703 HydrophobicContact CG-CG1 4.25Å; M589-V703 PolarHBondContact N-O 2.84Å
704	Y	27.8	Very low	28.9	Very low	153 Å²	153	126.5 Å²	126.5	60%	0.6	74%	0.744	S	S	*	*			trans	-170.4	163.2	172.3	-89.5	-47.3	0	0	0	110	G588 M589 P590	G588-Y704 WeakPolarHBondContact O-CD2 3.13Å; M589-Y704 VanDerWaalsContact N-CD2 3.32Å; M589-Y704 VanDerWaalsContact N-CE2 3.26Å; M589-Y704 WeakPolarHBondContact O-CE2 3.24Å; M589-Y704 PolarHBondContact O-OH 2.93Å; P590-Y704 VanDerWaalsContact CD-OH 3.31Å; P590-Y704 WeakPolarHBondContact CD-OH 3.48Å
705	Y	28.9	Very low	28.7	Very low	211 Å²	211	130.4 Å²	130.4	83%	0.827	75%	0.745	S	S	*	*			cis	-159.9	-167.3	-20.5	-168.8	-114	0	0	0	109.4
706	N	24.5	Very low	28.8	Very low	122 Å²	122	130 Å²	130	65%	0.652	74%	0.742	S	S	*	*			trans	-129.8	147.7	-169.2	-156.5	16	0	0	0	114.8
707	P	29.2	Very low	28.6	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	74%	0.739	S	S	*	*			trans	-132.4	146.7	153.9	37.8	-25	0	0	0	114.9
708	V	25.2	Very low	28.6	Very low	128 Å²	128	133.9 Å²	133.9	78%	0.776	74%	0.744	S	S	*	*			trans	-85.6	136.2	177.3	174.6	0	0	0	0	111.6
709	I	29	Very low	28.3	Very low	160 Å²	160	133.4 Å²	133.4	82%	0.821	74%	0.739	S	S	*	*			trans	-137.1	128.7	152.4	-60.8	-176.7	0	0	0	109.4
710	S	23.9	Very low	28.3	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	75%	0.748	S	S	*	*			trans	-110.2	140.2	161.9	53.7	0	0	0	0	109.2
711	S	31.1	Very low	28.2	Very low	93 Å²	93	135.7 Å²	135.7	65%	0.65	74%	0.743	S	S	*	*			trans	-158.8	119.1	171.1	58.2	0	0	0	0	111.9
712	N	26.7	Very low	28.3	Very low	163 Å²	163	138 Å²	138	87%	0.872	76%	0.758	S	S	*	*			trans	-74.6	125.2	162.4	-68.4	-19.9	0	0	0	109.1
713	F	31.6	Very low	28.3	Very low	196 Å²	196	141.3 Å²	141.3	86%	0.86	78%	0.776	S	S	*	*			trans	-147.8	135.8	154.4	-86.2	-81.2	0	0	0	106.9
714	G	29.3	Very low	28.5	Very low	58 Å²	58	143.6 Å²	143.6	60%	0.598	79%	0.79	S	S	*	*			cis	103	90.8	7.8	0	0	0	0	0	111
715	D	27	Very low	28.4	Very low	165 Å²	165	143.1 Å²	143.1	88%	0.882	80%	0.798	S	S	*	*			trans	41.9	115.1	162.2	-55	-24.4	0	0	0	120.4
716	S	30.3	Very low	28.7	Very low	121 Å²	121	137.6 Å²	137.6	85%	0.846	79%	0.787	S	S	*	*			trans	-145.9	127.5	141.1	66.2	0	0	0	0	110.3
717	C	26.8	Very low	28.9	Very low	107 Å²	107	136.4 Å²	136.4	72%	0.723	79%	0.789	S	S	*	*			trans	-78.5	148.5	-169.2	-48.2	0	0	0	0	113.6
718	F	28.5	Very low	29.1	Very low	216 Å²	216	140.5 Å²	140.5	95%	0.947	80%	0.795	S	S	*	*			trans	-129.2	91.4	147.5	-108	-81.3	0	0	0	110.1
719	T	28.2	Very low	29.3	Very low	113 Å²	113	141.6 Å²	141.6	69%	0.693	80%	0.796	S	S	*	*			trans	-86.3	120.3	173	45.6	0	0	0	0	110.7
720	M	29.3	Very low	29.3	Very low	193 Å²	193	146 Å²	146	95%	0.951	80%	0.802	S	S	*	*			trans	-124.8	100.5	152.3	-96.2	-170.5	167.6	0	0	109.4
721	N	28.9	Very low	29.5	Very low	143 Å²	143	147.6 Å²	147.6	77%	0.765	80%	0.802	S	S	*	*			trans	-68.7	136.9	168	-69.9	-33.6	0	0	0	109.6
722	N	31	Very low	29.7	Very low	165 Å²	165	148.9 Å²	148.9	88%	0.882	81%	0.811	S	S	*	*			trans	-162.7	98.9	133.7	-98.8	-28.8	0	0	0	110.8
723	V	29.1	Very low	29.9	Very low	140 Å²	140	144.3 Å²	144.3	85%	0.848	80%	0.803	S	S	*	*			trans	-88.8	115.9	168.9	173.9	0	0	0	0	108.7
724	V	31.9	Very low	29.9	Very low	142 Å²	142	142.4 Å²	142.4	86%	0.861	80%	0.8	S	S	*	*			trans	-147.4	123.6	147.4	-178.5	0	0	0	0	110.3
725	N	26.7	Very low	30	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	81%	0.814	S	S	*	*			trans	-125.4	163.8	158	-151	9.1	0	0	0	104.5
726	P	35.3	Very low	30.2	Very low	94 Å²	94	149.4 Å²	149.4	61%	0.61	81%	0.812	S	S	*	*			cis	-137.8	178.3	-1.1	41	-22.6	0	0	0	116.2
727	S	29	Very low	30.3	Very low	98 Å²	98	156.4 Å²	156.4	69%	0.685	83%	0.831	S	S	*	*			trans	57.3	125.1	146.1	68.6	0	0	0	0	121.5
728	K	31.9	Very low	30.5	Very low	203 Å²	203	158.9 Å²	158.9	88%	0.883	84%	0.836	S	S	*	*				-173.6	146.2	123.5	-105.3	161.4	-174.2	172.7	0	113.2
729	N	29.5	Very low	30.6	Very low	151 Å²	151	155.9 Å²	155.9	81%	0.807	83%	0.83	S	S	*	*			trans	-71.1	144.6	177	-55	-17	0	0	0	111.8
730	W	29.7	Very low	30.7	Very low	251 Å²	251	158.3 Å²	158.3	95%	0.951	84%	0.838	S	S	*	*			trans	-134.8	130.2	151.1	-99.2	71.5	0	0	0	109.3
731	N	28.1	Very low	30.8	Very low	144 Å²	144	156.2 Å²	156.2	77%	0.77	83%	0.831	S	S	*	*			trans	-97.5	167.9	176.3	-80.3	-22.4	0	0	0	111
732	S	34.4	Very low	30.9	Very low	120 Å²	120	157.1 Å²	157.1	84%	0.839	84%	0.836	S	S	*	*			trans	118.1	146.7	143.6	75.8	0	0	0	0	117.8
733	G	32.2	Very low	30.9	Very low	67 Å²	67	156.5 Å²	156.5	69%	0.691	83%	0.833	S	S	*	*			trans	77.2	113.1	-174.4	0	0	0	0	0	112.1
734	I	30.9	Very low	31.1	Very low	157 Å²	157	157.7 Å²	157.7	81%	0.805	83%	0.831	S	S	*	*			cis	58.5	94.3	22.1	-48.7	-179.6	0	0	0	113.3
735	H	32	Very low	31	Very low	193 Å²	193	158.9 Å²	158.9	89%	0.894	83%	0.829	S	S	*	*				-151.6	153.8	122.5	-113.2	-82.7	0	0	0	109.2
736	Q	30.2	Very low	31.4	Very low	177 Å²	177	160.3 Å²	160.3	83%	0.827	84%	0.835	S	S	*	*			trans	-101.2	145.7	-179.7	-60.5	170.8	-98.4	0	0	111
737	E	33.3	Very low	31	Very low	268 Å²	268	166.3 Å²	166.3	100%	1.252	86%	0.855	S	S	*	*				-131.2	0	120	-85.7	-170.5	147.9	0	0	108.2

Retrieved 737 of 737 residues in 953.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).